SCHEMBL1027772

SCHEMBL1027772

CC(C)(C)c1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.56
ALDH1A1 P00352 6/20 0.53
HPGD P15428 5/20 0.53
TDP1 Q9NUW8 3/20 0.53
HSD17B10 Q99714 3/20 0.53
ALOX15 P16050 2/20 0.53
MAPK1 P28482 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HTT P42858 2/20 0.49
GLA P06280 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
SIRT6 Q8N6T7 1/20 0.46
GAA P10253 3/20 0.45
MAPT P10636 5/20 0.44
LMNA P02545 2/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL31363714 1.00 GPR35 (0.56) GPR35ALDH1A1HPGDTDP1HSD17B10
SCHEMBL445240 0.85 ALDH1A1 (0.56) GPR35ALDH1A1HPGDTDP1HSD17B10
SCHEMBL18535802 0.83 GPR35 (0.50) GPR35ALDH1A1HPGDTDP1HSD17B10
SCHEMBL6222813 0.82 TSHR (0.55) GPR35ALDH1A1HPGDTDP1ALOX15
SCHEMBL6823350 0.81 GPR35 (0.56) GPR35ALDH1A1HPGDTDP1ALOX15
SCHEMBL1024910 0.81 GPR35 (0.56) GPR35ALDH1A1HPGDTDP1ALOX15
SCHEMBL6640596 0.81 MAPT (0.55) GPR35ALDH1A1HPGDTDP1HSD17B10
SCHEMBL12384891 0.79 MAPK1 (0.47) GPR35ALDH1A1HPGDTDP1MAPK1
SCHEMBL18356979 0.79 ALDH1A1 (0.47) GPR35ALDH1A1HPGDTDP1HSD17B10
SCHEMBL29837063 0.79 ALDH1A1 (0.47) GPR35ALDH1A1HPGDTDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856219-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2018-01-02 US disclosed
US-20170281612-A1 Methods for the Treatment of Cystic Fibrosis NIVALIS THERAPEUTICS, INC. 2017-10-05 US disclosed
US-20170281612-A1 Methods for the Treatment of Cystic Fibrosis NIVALIS THERAPEUTICS, INC. 2017-10-05 US disclosed
EP-2274983-B1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-05-31 EP disclosed
EP-2274983-B1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-05-31 EP disclosed
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 US disclosed
EP-3107910-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2016-12-28 EP disclosed
US-20160340312-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors LAUREL THERAPEUTICS LTD. (CN) 2016-11-24 US disclosed
US-20160220556-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors LAUREL THERAPEUTICS LTD. (CN) 2016-08-04 US disclosed
US-9315462-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
EP-1449834-A2 Inhibition of raf kinase using symmetrical and unsymmetrical substituted diphenyl ureas Bayer Corporation (US) 2004-08-25 EP disclosed
US-20040102636-A1 Inhibition of p38 kinase using symmetrical and unsymmetrical diphenyl ureas BAYER CORPORATION 2004-05-27 US disclosed
EP-1042305-A4 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER AG (US) 2003-05-14 EP disclosed
CN-1283180-A Inhibition of raf kinase using symmerical and unsymmerical substituted diphenyl ureas BAYER AG (US) 2001-02-07 CN disclosed
EP-1049664-A1 INHIBITION OF RAF KINASE USING SYMMETRICAL AND UNSYMMETRICAL SUBSTITUTED DIPHENYL UREAS Bayer Corporation (US) 2000-11-08 EP disclosed
EP-1042305-A1 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-1999032436-A1 INHIBITION OF RAF KINASE USING SYMMETRICAL AND UNSYMMETRICAL SUBSTITUTED DIPHENYL UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1999032463-A1 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
US-4367235-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1983-01-04 US disclosed
EP-0000784-A1 4-Hydroxy-2-benzimidazolinone derivatives, process for their preparation and their use in medicaments Roche Diagnostics GmbH (DE) 1979-02-21 EP 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-20160340312-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 GPR35 1728/4885ALDH1A1 290/4885HPGD 89/4885
US-20170281612-A1 Methods for the Treatment of Cystic Fibrosis GSR, CBS, CTH GPR35 1074/4885ALDH1A1 465/4885HPGD 101/4885
US-20040102636-A1 Inhibition of p38 kinase using symmetrical and unsymmetrical diphenyl ureas MAP2K2, MAPK1, MAP2K1 GPR35 2729/4885ALDH1A1 1875/4885HPGD 1118/4885
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 GPR35 523/4885ALDH1A1 600/4885HPGD 1809/4885
US-20160220556-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 GPR35 1728/4885ALDH1A1 290/4885HPGD 89/4885

“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.