SCHEMBL1021667

SCHEMBL1021667

COc1cccc(OC)c1N=C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
ALDH1A1 P00352 5/20 0.48
CYP3A4 P08684 3/20 0.48
HPGD P15428 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA12 O43570 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA4 P22748 1/20 0.44
TP53 P04637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL440576 0.90 GABRA1 (0.46) GABRA1GABRB2ALDH1A1CYP3A4HPGD
SCHEMBL2169591 0.88 CYP3A4 (0.52) GABRA1GABRB2ALDH1A1CYP3A4HPGD
SCHEMBL10614861 0.88 GABRA1 (0.44) GABRA1GABRB2ALDH1A1CYP3A4HPGD
SCHEMBL18245707 0.86 GABRA1 (0.40) GABRA1GABRB2ALDH1A1CYP3A4HPGD
SCHEMBL10611599 0.85 GABRA1 (0.70) GABRA1GABRB2ALDH1A1CYP3A4HPGD
SCHEMBL28578200 0.82 ALDH1A1 (0.42) GABRA1GABRB2ALDH1A1CYP3A4HPGD
SCHEMBL14892852 0.82 CA1 (0.48) ALDH1A1CYP3A4HPGDTDP1CA1
SCHEMBL23026180 0.78 CA1 (0.44) ALDH1A1CYP3A4HPGDTDP1CA1
SCHEMBL27911783 0.78 CA1 (0.44) ALDH1A1CYP3A4HPGDTDP1CA1
SCHEMBL18245706 0.78 GABRA1 (0.48) GABRA1GABRB2ALDH1A1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849816-B Method for treating paperboard and paper media and related treated paperboard and paper media 巴斯夫欧洲公司 2021-07-09 CN disclosed
CN-106232667-B Polyiso-ureas 巴斯夫欧洲公司 2020-01-07 CN disclosed
EP-3296309-B1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIV GENT (BE) 2019-08-07 EP disclosed
US-20180298557-A1 METHODS FOR TREATING PAPERBOARDS AND PAPER MEDIA, AND ASSOCIATED TREATED PAPERBOARDS AND PAPER MEDIA BASF CORPORATION 2018-10-18 US disclosed
EP-3107946-B1 A POLYISO-UREA BASF SE (DE) 2018-08-08 EP disclosed
US-9982083-B2 Polyiso-urea BASF SE (DE) 2018-05-29 US disclosed
EP-3298194-A2 METHODS FOR TREATING PAPERBOARDS AND PAPER MEDIA, AND ASSOCIATED PAPERBOARDS AND PAPER MEDIA BASF SE (DE) 2018-03-28 EP disclosed
EP-3296309-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS Universiteit Gent (BE) 2018-03-21 EP disclosed
EP-2877480-B1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIV GENT (BE) 2017-09-06 EP disclosed
US-20170058074-A1 POST-MODIFIED POLYCARBODIIMIDES BASF SE (DE) 2017-03-02 US disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
EP-0920424-B1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-6194437-B1 ANTIDEPRESSANTS; ANTICANCER AGENTS; GASTROINTESTINAL DISORDERS; COGNITION ACTIVATORS WARNER-LAMBERT COMPANY 2001-02-27 US disclosed
EP-0920424-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-06-09 EP disclosed
WO-1998007718-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-26 WO disclosed
US-4618682-A ANTISECRETORY, HYPOTENSIVE AGENTS MCNEILAB, INC. (US) 1986-10-21 US disclosed
US-4513140-A REACTION OF 2-IMINOIMIDAZOLIDINE WITH AN AROMATIC ISOCYANATE MCNEILAB, INC. (US) 1985-04-23 US disclosed
US-4046909-A Pyrrolidylidene, piperidylidene and hexahydroazepinylidene ureas as CNS depressants MCNEIL LABORATORIES, INCORPORATED (US) 1977-09-06 US disclosed
US-3998958-A Pyrrolidylidene, piperidylidene and hexahydroazepinylidene ureas as CNS depressants MCNEIL LABORATORIES, INCORPORATED (US) 1976-12-21 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 GABRA1 3246/4885GABRB2 3852/4885ALDH1A1 2549/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 GABRA1 3246/4885GABRB2 3852/4885ALDH1A1 2549/4885

“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.