SCHEMBL7753003

SCHEMBL7753003

O=[N+]([O-])c1ccc(CBr)s1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 4/20 0.53
HTT P42858 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
KMT2A Q03164 8/20 0.50
MEN1 O00255 6/20 0.50
NR1D1 P20393 7/20 0.48
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
PSMD14 O00487 1/20 0.44
NR1H3 Q13133 1/20 0.43
MAPK1 P28482 1/20 0.41

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
SCHEMBL27481963 0.84 MAPT (0.50) MAPTALDH1A1KDM4EHTTL3MBTL1
SCHEMBL7048967 0.79 KMT2A (0.54) MAPTALDH1A1KDM4EHTTL3MBTL1
SCHEMBL10160727 0.79 KMT2A (0.54) MAPTALDH1A1KDM4EHTTL3MBTL1
SCHEMBL4880954 0.79 MAPT (0.53) MAPTALDH1A1KDM4EHTTL3MBTL1
SCHEMBL960965 0.79 MAPT (0.53) MAPTALDH1A1KDM4EHTTL3MBTL1
SCHEMBL11537633 0.77 KMT2A (0.49) MAPTALDH1A1KDM4EHTTL3MBTL1
SCHEMBL6261093 0.77 MAPT (0.52) MAPTALDH1A1KDM4EHTTL3MBTL1
SCHEMBL8423313 0.76 MAPT (0.50) MAPTALDH1A1KDM4EHTTL3MBTL1
SCHEMBL20590054 0.76 MAPT (0.50) MAPTALDH1A1KDM4EHTTL3MBTL1
SCHEMBL1937601 0.76 MAPT (0.50) MAPTALDH1A1KDM4EHTTL3MBTL1

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-119060054-A Nitroaromatic ring substituted imidazopyrazine compound and preparation method and application thereof 南京中医药大学 2024-12-03 CN disclosed
CN-118475563-A Cyanine-trehalose compound, preparation method and application thereof 宁波康柏睿格医药科技有限公司 2024-08-09 CN disclosed
CN-113980075-B Fluodrone derivative and application thereof 聊城大学 2024-06-04 CN disclosed
WO-2023216992-A1 CYANINE-TREHALOSE COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 杭州康柏睿格医药科技有限公司 2023-11-16 WO disclosed
US-20230167142-A1 METHODS FOR THE MONO-AMIDATION OF PHOSPHATES AND PHOSPHONATES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-06-01 US disclosed
US-20220089620-A1 INHIBITORS OF THE ENZYME ENOLASE FOR PRECISION ONCOLOGY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-03-24 US disclosed
CN-113980005-A Tegafur derivatives and use thereof 聊城大学 2022-01-28 CN disclosed
CN-113980075-A Fluoroteflon derivative and application thereof 聊城大学 2022-01-28 CN disclosed
WO-2021202886-A1 METHODS FOR THE MONO-AMIDATION OF PHOSPHATES AND PHOSPHONATES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-10-07 WO disclosed
WO-2020154742-A1 INHIBITORS OF THE ENZYME ENOLASE FOR PRECISION ONCOLOGY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-07-30 WO disclosed
EP-0769015-B1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-03-14 EP disclosed
US-5874472-A Aminoacid derivatives as no synthase inhibitors GLAXO WELLCOME INC. (US) 1999-02-23 US disclosed
EP-0705257-B1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS WELLCOME FOUND (GB) 1998-03-11 EP disclosed
US-5716944-A USEFUL AS PROPHYLACTIC AND THERAPEUTIC AGENTS OF VARIOUS METABOLIC BONE DISEASES SUCH AS OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0769015-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-23 EP disclosed
EP-0705257-A1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1996-04-10 EP disclosed
WO-1996001267-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-18 WO disclosed
WO-1995000505-A1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-01-05 WO 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 (2 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-20220089620-A1 INHIBITORS OF THE ENZYME ENOLASE FOR PRECISION ONCOLOGY ENO1, SERPINB1, ENPEP MAPT 1234/4885ALDH1A1 921/4885KDM4E 1752/4885
US-20230167142-A1 METHODS FOR THE MONO-AMIDATION OF PHOSPHATES AND PHOSPHONATES PHPT1, PPIP5K2, PNP MAPT 3158/4885ALDH1A1 4707/4885KDM4E 3560/4885

“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.