SCHEMBL4988910

SCHEMBL4988910

O=Cc1cc(Cl)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP3A4 P08684 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
PRKDC P78527 1/20 0.55
VCAM1 P19320 2/20 0.52
KDM4A O75164 1/20 0.49
KDM4B O94953 1/20 0.49
ERN1 O75460 3/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
GPR35 Q9HC97 1/20 0.40
PDE7A Q13946 2/20 0.39
XDH P47989 1/20 0.39

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
SCHEMBL5583374 0.90 VCAM1 (0.55) HSD17B10ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL446013 0.86 ALDH1A1 (0.50) HSD17B10ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL9789906 0.86 VCAM1 (0.55) HSD17B10ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL18370780 0.85 ALDH1A1 (0.49) HSD17B10ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL5277130 0.85 ALDH1A1 (0.49) HSD17B10ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL7506663 0.85 ALDH1A1 (0.49) HSD17B10ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL8807505 0.85 MAPT (0.53) HSD17B10ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL13527036 0.85 HSD17B10 (0.53) HSD17B10ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL29709876 0.85 ALDH1A1 (0.49) HSD17B10ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL9215364 0.82 ALDH1A1 (0.62) HSD17B10ALDH1A1CYP3A4KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50527-E1 Covalent inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2025-08-12 US disclosed
EP-3401314-B1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-11-08 EP disclosed
US-10919850-B2 Covalent inhibitors of KRas G12C ARAXES PHARMA LLC (US) 2021-02-16 US disclosed
EP-3623371-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS Axovant Sciences GmbH (CH) 2020-03-18 EP disclosed
EP-3233087-B1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (DE) 2019-10-02 EP disclosed
US-10273207-B2 Covalent inhibitors of kras G12C ARAXES PHARMA LLC (US) 2019-04-30 US disclosed
US-10183938-B2 Geminal substituted quinuclidine amide compounds as agonists of α-7 nicotonic acetylcholine receptors AXOVANT SCIENCES GMBH (CH) 2019-01-22 US disclosed
EP-3401314-A1 COVALENT INHIBITORS OF KRAS G12C Araxes Pharma LLC (US) 2018-11-14 EP disclosed
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 US disclosed
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 US disclosed
EP-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP disclosed
US-20050192288-A1 Benzofuran-2-yl-carbonyl- and indol-2-yl-carbonyl-trans-2,5-dimethyl-piperazine derivatives; rheumatoid arthritis, multiple sclerosis, systemic lupus erythematosus, inflammatory bowel disease, asthma; inhibit the interaction between inflammatory chemokines and their receptor ACTIVE BIOTECH AB (SE) 2005-09-01 US disclosed
WO-2005080336-A1 NOVEL BENZOFURANS AND INDOLS ACTIVE BIOTECH AB (SE) 2005-09-01 WO disclosed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed
EP-1065204-B1 Bicycliccarbonyl indole compounds as anti-inflammatory/analgesic agents and as COX-2 inhibitors PFIZER (US) 2002-04-10 EP disclosed
US-6303628-B1 FOR THE TREATMENT OF A MEDICAL CONDITION IN WHICH PROSTAGLANDINS ARE IMPLICATED AS PATHOGENS IN MAMMALS PFIZER INC 2001-10-16 US disclosed
EP-1065204-A1 Bicycliccarbonyl indole compounds as anti-inflammatory/analgesic agents and as COX-2 inhibitors PFIZER INC. (US) 2001-01-03 EP disclosed
EP-1045833-A1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER INC. (US) 2000-10-25 EP disclosed
WO-1999035130-A1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-07-15 WO disclosed
US-5710139-A Heterocyclic compounds ASTRA AB (SE) 1998-01-20 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 (5 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-20050192288-A1 Benzofuran-2-yl-carbonyl- and indol-2-yl-carbonyl-trans-2,5-dimethyl-piperazine derivatives; rheumatoid arthritis, multiple sclerosis, systemic lupus erythematosus, inflammatory bowel disease, asthma; inhibit the interaction between inflammatory chemokines and their receptor CXCR1, CCR2, CXCR5 HSD17B10 3851/4885ALDH1A1 2999/4885CYP3A4 3065/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HSD17B10 3815/4885ALDH1A1 2706/4885CYP3A4 4548/4885
US-10183938-B2 Geminal substituted quinuclidine amide compounds as agonists of α-7 nicotonic acetylcholine receptors CHRNA7, CHRNA6, CHRNA5 HSD17B10 2776/4885ALDH1A1 2693/4885CYP3A4 2952/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS HSD17B10 3815/4885ALDH1A1 2706/4885CYP3A4 4548/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS HSD17B10 3815/4885ALDH1A1 2706/4885CYP3A4 4548/4885

“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.