SCHEMBL935024

SCHEMBL935024

Cc1onc(-c2ccccc2)c1CBr

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58
GABRA5 P31644 11/20 0.57
ALDH1A1 P00352 5/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PKM P14618 2/20 0.51
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL27683398 0.86 GABRA5 (0.55) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL29203444 0.84 GABRA5 (0.46) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL6987 0.84 GABRA5 (0.50) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL256699 0.84 PTGS1 (0.59) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL21834100 0.83 GABRA5 (0.49) PTGS1PTGS2GABRA5ALDH1A1KMT2A
SCHEMBL195699 0.82 PTGS1 (0.58) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL107436 0.82 PTGS1 (0.58) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL286436 0.82 PTGS1 (0.58) PTGS1PTGS2GABRA5ALDH1A1NPSR1
SCHEMBL12844155 0.81 PTGS1 (0.56) PTGS1PTGS2GABRA5ALDH1A1NPSR1
Water SCHEMBL27477176 0.81 PTGS1 (0.56) PTGS1PTGS2GABRA5ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346798-B2 Dihydrobenzoxazine and tetrahydroquinoxaline sodium channel inhibitors AMGEN INC. (US) 2016-05-24 US disclosed
US-20150057271-A1 DIHYDROBENZOXAZINE AND TETRAHYDROQUINOXALINE SODIUM CHANNEL INHIBITORS AMGEN INC. 2015-02-26 US disclosed
EP-2690095-A1 Aryl gpr120 receptor agonists and uses thereof Camabay Therapeutics, Inc. (US) 2014-01-29 EP disclosed
WO-2013122897-A1 DIHYDROBENZOXAZINE AND TETRAHYDROQUINOXALINE SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2013-08-22 WO disclosed
US-8329727-B2 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-11 US disclosed
US-8236963-B2 Tricyclic spiro derivatives as CRTH2 modulators MERCK SERONO SA (CH) 2012-08-07 US disclosed
EP-2454264-A1 TRICYCLIC INDOLE-DERIVED SPIRO DERIVATIVES AS CRTH2 MODULATORS Merck Serono S.A. (CH) 2012-05-23 EP disclosed
EP-2454243-A2 TETRAZOLE DERIVATIVES Merck Serono SA (CH) 2012-05-23 EP disclosed
US-20120115895-A1 TRICYCLIC INDOLE-DERIVED SPIRO DERIVATIVES AS CRTH2 MODULATORS MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20080153802-A1 Alpha-helical mimetics THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2008-06-26 US disclosed
EP-1891075-A1 TRICYCLIC SPIRO DERIVATIVES AS CRTH2 MODULATORS LABORATOIRES SERONO S.A. (CH) 2008-02-27 EP disclosed
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2007-10-18 US disclosed
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2007-10-18 US disclosed
EP-1802566-A1 HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-07-04 EP disclosed
US-20070135416-A1 Tricyclic amide derivatives HOFFMANN-LA ROCHE INC. 2007-06-14 US disclosed
WO-2007065820-A1 TRICYCLIC AMIDE DERIVATIVES USEFUL FOR TREATING OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 WO disclosed
WO-2006125784-A1 TRICYCLIC SPIRO DERIVATIVES AS CRTH2 MODULATORS LABORATOIRES SERONO S.A. (CH) 2006-11-30 WO disclosed
WO-2006037480-A1 HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO disclosed
US-20060074115-A1 Novel hexafluoroisopropanol substituted ether derivatives HOFFMANN-LA ROCHE INC. 2006-04-06 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 (7 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-20070135416-A1 Tricyclic amide derivatives HRH4, HRH3, HCAR1 PTGS1 732/4885PTGS2 1161/4885GABRA5 332/4885
US-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 PTGS1 220/4885PTGS2 365/4885GABRA5 326/4885
US-20150057271-A1 DIHYDROBENZOXAZINE AND TETRAHYDROQUINOXALINE SODIUM CHANNEL INHIBITORS SCN5A, KCNH1, KCNQ5 PTGS1 289/4885PTGS2 381/4885GABRA5 404/4885
US-20060074115-A1 Novel hexafluoroisopropanol substituted ether derivatives NR1H3, NR1H2, NR1I2 PTGS1 2953/4885PTGS2 3693/4885GABRA5 987/4885
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment ZC3HAV1, TPMT, DPP4 PTGS1 1364/4885PTGS2 2185/4885GABRA5 1567/4885
US-20080153802-A1 Alpha-helical mimetics BID, BAX, BAD PTGS1 2822/4885PTGS2 2941/4885GABRA5 2324/4885
US-20120115895-A1 TRICYCLIC INDOLE-DERIVED SPIRO DERIVATIVES AS CRTH2 MODULATORS HRH2, HRH1, LTC4S PTGS1 79/4885PTGS2 44/4885GABRA5 3713/4885

“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.