SCHEMBL8970631

SCHEMBL8970631

O=[N+]([O-])c1ccc(COS(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.66
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
IDO1 P14902 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP19A1 P11511 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL18007111 0.86 ACHE (0.55) HTTMAPTIDO1ALDH1A1NPC1
SCHEMBL18045536 0.85 HTT (0.62) HTTMAPTGAACYP1A2CYP2C19
SCHEMBL2439083 0.85 CA2 (0.61) HTTIDO1ALDH1A1CA12CA1
SCHEMBL3978412 0.83 CA2 (0.59) HTTIDO1ALDH1A1CA12CA1
SCHEMBL27724423 0.83 HTT (0.55) HTTMAPTGAAIDO1CYP1A2
SCHEMBL28296024 0.82 ALDH1A1 (0.59) HTTMAPTGAACYP1A2CYP2C19
SCHEMBL30963225 0.82 HTT (0.66) HTTMAPTGAACYP1A2CYP2C19
Nitrobenzene SCHEMBL28079769 0.81 HTT (0.61) HTTMAPTGAACYP1A2CYP2C19
SCHEMBL8400160 0.81 MEN1 (0.53) HTTMAPTIDO1CYP1A2CYP2C19
SCHEMBL27560084 0.80 CYP1A2 (0.60) HTTMAPTGAACYP1A2CYP2C19

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110950781-A Novel diamine, polyamic acid, and polyimide 日产化学工业株式会社 2020-04-03 CN disclosed
US-10023530-B2 Diamine, polyamic acid, and polyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-17 US disclosed
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE NISSAN CHEMICAL INDUSTRIES. LTD. (JP) 2016-09-15 US disclosed
CN-105683155-A Novel diamine, polyamic acid, and polyimide 日产化学工业株式会社 2016-06-15 CN disclosed
CN-102630246-B Anti-reflective coating composition and process MERCK PATENT GMBH (DE) 2016-05-11 CN disclosed
CN-102741753-B Antireflective compositions and methods of using same AZ ELECTRONIC MATERIALS USA CORP. (US) 2014-10-29 CN disclosed
CN-103353706-A Antireflective coating compositions AZ ELECTRONIC MATERIALS USA 2013-10-16 CN disclosed
CN-101529336-B Antireflective coating composition AZ ELECTRONIC MATERIALS USA 2013-08-21 CN disclosed
CN-101529335-B Antireflective coating compositions and imaging method AZ ELECTRONIC MATERIALS USA 2013-01-30 CN disclosed
CN-102741753-A Antireflective compositions and methods of using same AZ ELECTRONIC MATERIALS USA 2012-10-17 CN disclosed
CN-102227680-A Photosensitive composition AZ ELECTRONIC MATERIALS USA 2011-10-26 CN disclosed
CN-102187279-A Bottom antireflective coating composition AZ ELECTRONIC MATERIALS USA 2011-09-14 CN disclosed
CN-102099901-A Dual Damascene Via Fill Composition AZ ELECTRONIC MATERIALS USA 2011-06-15 CN disclosed
CN-102016719-A An antireflective coating composition AZ ELECTRONIC MATERIALS USA 2011-04-13 CN disclosed
CN-101903830-A Make the photoresist imaging method that is coated on the antireflecting coating AZ ELECTRONIC MATERIALS USA 2010-12-01 CN disclosed
CN-101529335-A Antireflective coating compositions AZ ELECTRONIC MATERIALS USA (US) 2009-09-09 CN disclosed
CN-101529336-A Antireflective coating composition AZ ELECTRONIC MATERIAL USA COR (US) 2009-09-09 CN disclosed
CN-1215381-C Antireflective composition for deep ultraviolet photoresist AZ ELECTRONIC MATERIAL CO LTD (JP) 2005-08-17 CN disclosed
CN-1330779-A Antireflective composition for deep ultraviolet photoresist CLARIANT INT LTD (CH) 2002-01-09 CN disclosed
US-5563022-A MIXTURE OF WATER INSOLUBLE ORGANIC BINDER HAVING ACID-LABILE ETHER, ESTER OR CARBONATE GROUPS OR BEING SOLUBLE IN ALKALINE SOLUTIONS, ORGANIC COMPOUND WHOSE SOLUBILITY IS INCREASED BY ACID, ARYLSULFONIC ESTER BASF AKTIENGESELLSCHAFT (DE) 1996-10-08 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 (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-10023530-B2 Diamine, polyamic acid, and polyimide H1-2, H1-4, H1-0 HTT 1147/4885MAPT 3277/4885GAA 3810/4885
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE H1-4, H1-2, H1-5 HTT 1529/4885MAPT 3086/4885GAA 3782/4885

“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.