SCHEMBL3327795

SCHEMBL3327795

O=C(I)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.71
▸ CA1 P00915 2/20 0.68
▸ CA2 P00918 2/20 0.68
▸ TDP1 Q9NUW8 2/20 0.68
▸ MAPK1 P28482 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ TSHR P16473 1/20 0.65
▸ CES2 O00748 1/20 0.61
▸ SRD5A2 P31213 1/20 0.61
▸ GSK3B P49841 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ POLB P06746 2/20 0.55
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ MAPT P10636 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL975118 0.83 SRD5A2 (0.83) CES1CA1CA2TDP1MAPK1
SCHEMBL10723714 0.83 SRD5A2 (0.83) CES1CA1CA2TDP1MAPK1
SCHEMBL4603989 0.83 CES1 (1.00) CES1CA1CA2TDP1MAPK1
Terephthalic Acid SCHEMBL28023943 0.81 TDP1 (1.00) CES1CA1CA2TDP1MAPK1
SCHEMBL180511 0.81 CES1 (0.71) CES1CA1CA2TDP1MAPK1
4-Nitrobenzoic Acid SCHEMBL43476 0.81 TDP1 (1.00) CES1CA1CA2TDP1MAPK1
SCHEMBL11713734 0.80 GSK3B (0.69) CES1CA1CA2TDP1MAPK1
SCHEMBL24760644 0.80 CES1 (0.70) CES1CA1CA2TDP1MAPK1
SCHEMBL3311084 0.80 CES1 (0.70) CES1CA1CA2TDP1MAPK1
SCHEMBL3330023 0.79 CES1 (0.68) CES1CA1CA2TDP1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192005-A Diamine monomer and preparation method thereof, polyimide material and preparation method and application thereof 中国科学院长春应用化学研究所 2024-12-27 — — CN disclosed
WO-2023203897-A1 NOVEL DIAMINE, METHOD FOR PRODUCING SAME, AND POLYAMIC ACID AND POLYIMIDE PRODUCED FROM SAID DIAMINE 田岡化学工業株式会社 2023-10-26 — — WO disclosed
US-11760738-B2 Anisotropic copoly(imide oxetane) coatings and articles of manufacture, copoly(imide oxetane)s containing pendant fluorocarbon moieties, oligomers and processes therefor United States of America as represented by the Adminstrator of NASA (US) 2023-09-19 — — US disclosed
US-20220017479-A1 ANISOTROPIC COPOLY(IMIDE OXETANE) COATINGS AND ARTICLES OF MANUFACTURE, COPOLY(IMIDE OXETANE)S CONTAINING PENDANT FLUOROCARBON MOIETIES, OLIGOMERS AND PROCESSES THEREFOR UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NASA 2022-01-20 — — US disclosed
US-11130742-B2 Anisotropic copoly(imide oxetane) coatings and articles of manufacture, copoly(imide oxetane)s containing pendant fluorocarbon moieties, oligomers and processes therefor UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NASA (US) 2021-09-28 — — US disclosed
US-20200247770-A1 ANISOTROPIC COPOLY(IMIDE OXETANE) COATINGS AND ARTICLES OF MANUFACTURE, COPOLY(IMIDE OXETANE)S CONTAINING PENDANT FLUOROCARBON MOIETIES, OLIGOMERS AND PROCESSES THEREFOR UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NASA 2020-08-06 — — US disclosed
US-10626098-B2 Anisotropic copoly(imide oxetane) coatings and articles of manufacture, copoly (imide oxetane)s containing pendant fluorocarbon moieties, oligomers and processes therefor UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NASA (US) 2020-04-21 — — US disclosed
US-20180118702-A1 ANISOTROPIC COPOLY(IMIDE OXETANE) COATINGS AND ARTICLES OF MANUFACTURE, COPOLY(IMIDE OXETANE)S CONTAINING PENDANT FLUOROCARBON MOIETIES, OLIGOMERS AND PROCESSES THEREFOR UNITES STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NASA 2018-05-03 — — US disclosed
US-9822088-B2 Anisotropic copoly(imide oxetane) coatings and articles of manufacture, copoly(imide oxetane)s containing pendant fluorocarbon moieties, oligomers and processes therefor THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NASA (US) 2017-11-21 — — US disclosed
WO-2013078771-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR 成都地奥制药集团有限公司 (CN) 2013-06-06 — — WO disclosed
US-20120252968-A1 Anisotropic Copoly(imide Oxetane) Coatings and Articles of Manufacture, Copoly(imide Oxetane)s Containing Pendant Fluorocarbon Moieties, Oligomers and Processes Therefor U.S.A. AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2012-10-04 — — US disclosed
US-8193295-B2 Amide group-containing siloxane amine compound SONY CHEMICAL & INFORMATION DEVICE CORPORATION (JP) 2012-06-05 — — US disclosed
US-20110207767-A1 Novel cc-1065 Analogs and Their Conjugates BYONDIS B.V. (NL) 2011-08-25 — — US disclosed
US-20100137547-A1 NOVEL AMIDE GROUP-CONTAINING SILOXANE AMINE COMPOUND SONY CHEMICAL & INFORMATON DEVICE CORPORATION (JP) 2010-06-03 — — US disclosed
US-4196291-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1980-04-01 — — US disclosed
US-4141978-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-02-27 — — US disclosed
US-4113867-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-09-12 — — US disclosed
US-4001411-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-01-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120252968-A1 Anisotropic Copoly(imide Oxetane) Coatings and Articles of Manufacture, Copoly(imide Oxetane)s Containing Pendant Fluorocarbon Moieties, Oligomers and Processes Therefor MACF1, OR51E2, EZR CES1 3655/4885CA1 1322/4885CA2 2252/4885
US-20180118702-A1 ANISOTROPIC COPOLY(IMIDE OXETANE) COATINGS AND ARTICLES OF MANUFACTURE, COPOLY(IMIDE OXETANE)S CONTAINING PENDANT FLUOROCARBON MOIETIES, OLIGOMERS AND PROCESSES THEREFOR MACF1, OR51E2, FOS CES1 3775/4885CA1 1234/4885CA2 2126/4885
US-11760738-B2 Anisotropic copoly(imide oxetane) coatings and articles of manufacture, copoly(imide oxetane)s containing pendant fluorocarbon moieties, oligomers and processes therefor MACF1, OR51E2, FOS CES1 3775/4885CA1 1234/4885CA2 2126/4885
US-20200247770-A1 ANISOTROPIC COPOLY(IMIDE OXETANE) COATINGS AND ARTICLES OF MANUFACTURE, COPOLY(IMIDE OXETANE)S CONTAINING PENDANT FLUOROCARBON MOIETIES, OLIGOMERS AND PROCESSES THEREFOR MACF1, OR51E2, FOS CES1 3775/4885CA1 1234/4885CA2 2126/4885
US-20110207767-A1 Novel cc-1065 Analogs and Their Conjugates PCNA, CDC5L, TOP1 CES1 1269/4885CA1 815/4885CA2 1148/4885
US-10626098-B2 Anisotropic copoly(imide oxetane) coatings and articles of manufacture, copoly (imide oxetane)s containing pendant fluorocarbon moieties, oligomers and processes therefor MACF1, OR51E2, FOS CES1 3775/4885CA1 1234/4885CA2 2126/4885
US-11130742-B2 Anisotropic copoly(imide oxetane) coatings and articles of manufacture, copoly(imide oxetane)s containing pendant fluorocarbon moieties, oligomers and processes therefor MACF1, OR51E2, FOS CES1 3775/4885CA1 1234/4885CA2 2126/4885
US-20220017479-A1 ANISOTROPIC COPOLY(IMIDE OXETANE) COATINGS AND ARTICLES OF MANUFACTURE, COPOLY(IMIDE OXETANE)S CONTAINING PENDANT FLUOROCARBON MOIETIES, OLIGOMERS AND PROCESSES THEREFOR MACF1, OR51E2, FOS CES1 3775/4885CA1 1234/4885CA2 2126/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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