SCHEMBL9505765

SCHEMBL9505765

Cc1nc2cc(Cl)cc(Cl)c2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.45
PARP1 P09874 1/20 0.39
TYMS P04818 2/20 0.38
CDK4 P11802 5/20 0.38
CCND1 P24385 5/20 0.38
KDM4E B2RXH2 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GAA P10253 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AMY1A P0DUB6 1/20 0.36
CSNK2A1 P68400 1/20 0.36
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL23473991 0.84 ALDH1A1 (0.43) HTTALDH1A1CYP1A2PARP1TYMS
SCHEMBL13544179 0.84 ALDH1A1 (0.47) HTTALDH1A1CYP1A2PARP1TYMS
SCHEMBL1286353 0.81 ALDH1A1 (0.41) HTTALDH1A1CYP1A2PARP1TYMS
SCHEMBL5355865 0.81 ALDH1A1 (0.44) HTTALDH1A1CYP1A2PARP1TYMS
SCHEMBL24122690 0.81 ALDH1A1 (0.44) HTTALDH1A1CYP1A2PARP1TYMS
SCHEMBL13351381 0.81 ALDH1A1 (0.41) HTTALDH1A1CYP1A2PARP1TYMS
SCHEMBL17595095 0.81 ALDH1A1 (0.41) HTTALDH1A1CYP1A2PARP1TYMS
SCHEMBL7045022 0.79 CYP1A2 (0.40) HTTALDH1A1CYP1A2KDM4EGRIN2D
SCHEMBL1285923 0.78 KDM4E (0.43) HTTALDH1A1PARP1TYMSKDM4E
SCHEMBL23478355 0.78 ALDH1A1 (0.39) HTTALDH1A1CYP1A2PARP1TYMS

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313989-A1 INHIBITION AND ENHANCEMENT OF REPROGRAMMING BY CHROMATIN MODIFYING ENZYMES CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-11-02 US disclosed
US-9670463-B2 Inhibition and enhancement of reprogramming by chromatin modifying enzymes CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-06-06 US disclosed
US-20170137455-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2017-05-18 US disclosed
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. 2017-03-23 US disclosed
US-9446064-B2 Combination therapy for treating cancer Epizyme, Inc. (US) 2016-09-20 US disclosed
US-9394310-B2 Carbocycle-substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2016-07-19 US disclosed
US-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO UNIVERSITY OF IOWA RESEARCH FOUNDATION 2016-04-28 US disclosed
US-20160045531-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. 2016-02-18 US disclosed
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 US disclosed
US-20150342979-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA Epizyme, Inc. 2015-12-03 US disclosed
US-20150284422-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2015-10-08 US disclosed
US-9096634-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2015-08-04 US disclosed
US-20140323421-A1 Combination Therapy for Treating Cancer Epizyme, Inc. (US) 2014-10-30 US disclosed
WO-2014153001-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. (US) 2014-09-25 WO disclosed
US-20140242046-A1 INHIBITION AND ENHANCEMENT OF REPROGRAMMING BY CHROMATIN MODIFYING ENZYMES Childern's Medical Center Corporation (US) 2014-08-28 US disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 US disclosed
EP-0186190-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-26 EP disclosed
US-4663339-A Acaricidal and insecticidal substituted 1-phenylalkylbenzimidazoles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-05-05 US disclosed
EP-0186190-A2 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-07-02 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 (8 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-20150284422-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 HTT 1526/4885ALDH1A1 2404/4885CYP1A2 3815/4885
US-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO LPO, NOTUM, FARS2 HTT 2334/4885ALDH1A1 1503/4885CYP1A2 230/4885
US-20140323421-A1 Combination Therapy for Treating Cancer DOT1L, ASH1L, CARM1 HTT 3604/4885ALDH1A1 1001/4885CYP1A2 4679/4885
US-20160045531-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 HTT 3604/4885ALDH1A1 1001/4885CYP1A2 4679/4885
US-20150342979-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA DOT1L, CARM1, MCL1 HTT 3033/4885ALDH1A1 1884/4885CYP1A2 4120/4885
US-20170137455-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 HTT 1526/4885ALDH1A1 2404/4885CYP1A2 3815/4885
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 HTT 3604/4885ALDH1A1 1001/4885CYP1A2 4679/4885
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 HTT 2852/4885ALDH1A1 592/4885CYP1A2 2702/4885

“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.