SCHEMBL837270

SCHEMBL837270

CC(C)(C)c1cc2ccccc2[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.59
DAO P14920 2/20 0.55
DDO Q99489 1/20 0.55
KDM4E B2RXH2 8/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
KDR P35968 2/20 0.51
CHEK1 O14757 1/20 0.51
GRIN2D O15399 2/20 0.48
GRIN3B O60391 2/20 0.48
GRIN1 Q05586 2/20 0.48
GRIN2A Q12879 2/20 0.48
GRIN2B Q13224 2/20 0.48
GRIN2C Q14957 2/20 0.48
GRIN3A Q8TCU5 2/20 0.48
TSHR P16473 3/20 0.46
HSD17B10 Q99714 3/20 0.46
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
CYP1A2 P05177 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
SCHEMBL31048730 1.00 BRD4 (0.59) BRD4DAODDOKDM4EALDH1A1
SCHEMBL4017899 0.81 DAO (0.55) BRD4DAODDOKDM4EALDH1A1
SCHEMBL30556309 0.81 DAO (0.55) BRD4DAODDOKDM4EALDH1A1
SCHEMBL5475930 0.80 DAO (0.50) BRD4DAODDOKDM4EALDH1A1
SCHEMBL19545774 0.80 KDM4E (0.50) BRD4DAODDOKDM4EALDH1A1
SCHEMBL19779639 0.79 DAO (0.60) DAODDOKDM4EALDH1A1HPGD
SCHEMBL20193913 0.79 DAO (0.60) DAODDOKDM4EALDH1A1HPGD
SCHEMBL12395315 0.76 DAO (0.59) DAOKDM4EMAPT
SCHEMBL4310842 0.76 DAO (0.59) DAOKDM4EMAPT
SCHEMBL5473252 0.76 KDM4E (0.46) BRD4DAODDOKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2022-05-05 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20210213011-A1 CGRP RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2021-07-15 US disclosed
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
US-10888561-B2 CGRP receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2021-01-12 US disclosed
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 US disclosed
US-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
US-8143428-B2 Heteroaryl sulfones and sulfonamides and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-03-27 US disclosed
US-8067461-B2 3-acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-11-29 US disclosed
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20070232649-A1 Heteroaryl Sulfones and Sulfonamides and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-10-04 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 (15 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-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 BRD4 607/4885DAO 297/4885DDO 873/4885
US-20070232649-A1 Heteroaryl Sulfones and Sulfonamides and Therapeutic Uses Thereof SULT1E1, STS, CCNE1 BRD4 296/4885DAO 3359/4885DDO 1479/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 BRD4 288/4885DAO 4307/4885DDO 3678/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 BRD4 288/4885DAO 4307/4885DDO 3678/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP BRD4 651/4885DAO 290/4885DDO 922/4885
US-10888561-B2 CGRP receptor antagonists CALCRL, CALCR, VIPR1 BRD4 1119/4885DAO 3726/4885DDO 2390/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B BRD4 507/4885DAO 4523/4885DDO 4416/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 BRD4 607/4885DAO 297/4885DDO 873/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 BRD4 657/4885DAO 264/4885DDO 914/4885
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR BRD4 575/4885DAO 4281/4885DDO 3726/4885
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof NQO2, NQO1, HCCS BRD4 107/4885DAO 3402/4885DDO 3116/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 BRD4 288/4885DAO 4307/4885DDO 3678/4885
US-20210213011-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, VIPR1 BRD4 1119/4885DAO 3726/4885DDO 2390/4885
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR BRD4 575/4885DAO 4281/4885DDO 3726/4885
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 BRD4 2871/4885DAO 3801/4885DDO 3460/4885

“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.