SCHEMBL5595014

SCHEMBL5595014

CCCc1cccc(N)c1O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.46
GABRB2 P47870 6/20 0.46
IAPP P10997 4/20 0.43
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
PRKCI P41743 1/20 0.42
ELANE P08246 2/20 0.41
CTSG P08311 1/20 0.41
MMP2 P08253 1/20 0.39
HMGB1 P09429 1/20 0.38
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
DAO P14920 1/20 0.37

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
SCHEMBL4312373 0.88 ALOX5 (0.53) GABRA1GABRB2IAPPALOX5PTGS2
SCHEMBL17220630 0.86 ALOX5 (0.60) IAPPALOX5PTGS2ELANECTSG
SCHEMBL674691 0.84 GABRA1 (0.64) GABRA1GABRB2IAPPALOX5PTGS2
SCHEMBL8379462 0.83 ALDH1A1 (0.45) GABRA1GABRB2IAPPALOX5PTGS2
SCHEMBL4105394 0.83 GABRA1 (0.70) GABRA1GABRB2IAPPMMP2
SCHEMBL31376379 0.82 GABRA1 (0.61) GABRA1GABRB2IAPPALOX5PTGS2
SCHEMBL10762848 0.81 HMGB1 (0.56) MMP2HMGB1
SCHEMBL14895143 0.81 MMP2 (0.41) GABRA1GABRB2IAPPALOX5PTGS2
Bromide SCHEMBL4967570 0.81 GABRA1 (0.67) GABRA1GABRB2IAPPMMP2DAO
SCHEMBL27984845 0.79 FOLH1 (0.41) GABRA1GABRB2IAPPALOX5PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957241-B2 Aromatic diamine, an intermediate therefor, a method for producing the aromatic diamine, and a method for producing the intermediate therefor SEIKA CORPORATION (JP) 2018-05-01 US disclosed
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR SEIKA CORPORATION (JP) 2018-03-22 US disclosed
US-9816018-B2 Polyurethane sealant based on poly(butylene oxide) polyols for glass sealing DOW GLOBAL TECHNOLOGIES LLC (US) 2017-11-14 US disclosed
CN-107001629-A Resin and photosensitive polymer combination 东丽株式会社 2017-08-01 CN disclosed
EP-2738208-B1 COUPLING AGENT FOR RUBBER/CARBON BLACK, AND RUBBER COMPOSITION CONTAINING SAME FOR USE IN TIRES SHIKOKU CHEM (JP) 2017-07-19 EP disclosed
US-9560848-B2 Method and compositions for biofouling deterrence CLEMSON UNIVERSITY (US) 2017-02-07 US disclosed
US-20160002512-A1 Polyurethane Sealant Based on Poly(Butylene Oxide) Polyols for Glass Sealing DOW GLOBAL TECHNOLOGIES LLC 2016-01-07 US disclosed
CN-103703071-B Coupling agent for rubber/carbon black and rubber composition for tire containing the same SHIKOKU CHEMICALS CORP. (JP) 2015-12-09 CN disclosed
US-9200145-B2 Coupling agent for rubber/carbon black, and rubber composition containing same for use in tires SHIKOKU CHEMICALS CORPORATION (JP) 2015-12-01 US disclosed
US-20140155541-A1 COUPLING AGENT FOR RUBBER/CARBON BLACK, AND RUBBER COMPOSITION CONTAINING SAME FOR USE IN TIRES SHIKOKU CHEMICALS CORPORATION (JP) 2014-06-05 US disclosed
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP disclosed
US-5780483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 US disclosed
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 WO disclosed
WO-1996025157-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-22 WO disclosed
EP-0253340-B1 ALKYL-SUBSTITUTED BENZOXAZINORIFAMYCIN DERIVATIVE, PROCESS FOR PREPARING THE SAME AND ANTIBACTERIAL AGENT CONTAINING THE SAME KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-09-29 EP disclosed
CN-1018833-B Alkyl substituted benzoxazinorifamycin derivatives KANEGAFUCHI CHEMICAL IND (JP) 1992-10-28 CN disclosed
US-4859661-A Alkyl-substituted benzoxazinorifamycin derivative, process for preparing the same and antibacterial agent containing the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-08-22 US disclosed
CN-87104870-A Benzoxazinnorifamyciderivative derivative, its preparation method that alkyl replaces and contain the antiseptic-germicide of this derivative 1988-02-17 CN disclosed
EP-0253340-A1 Alkyl-substituted benzoxazinorifamycin derivative, process for preparing the same and antibacterial agent containing the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-01-20 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 (1 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-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR WEE1, WEE2, WASF2 GABRA1 409/4885GABRB2 640/4885IAPP 1679/4885

“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.