SCHEMBL9505753

SCHEMBL9505753

Cc1nc2c(Cl)cc(Cl)cc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 1.00
ALDH1A1 P00352 2/20 0.52
CBFB Q13951 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
ADORA3 P0DMS8 1/20 0.44
ADORA1 P30542 1/20 0.44
EGLN1 Q9GZT9 1/20 0.41
PRKCZ Q05513 1/20 0.39
F10 P00742 1/20 0.39
PARP1 P09874 1/20 0.39
DHODH Q02127 1/20 0.38
CYP1A2 P05177 1/20 0.38
CDK4 P11802 2/20 0.38
CCND1 P24385 2/20 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

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
SCHEMBL8265249 0.84 HTT (0.72) HTTALDH1A1ADORA3ADORA1EGLN1
SCHEMBL5355856 0.81 HTT (0.68) HTTALDH1A1ADORA3ADORA1PARP1
SCHEMBL14722325 0.81 HTT (0.68) HTTALDH1A1ADORA3ADORA1EGLN1
SCHEMBL3973306 0.81 HTT (0.68) HTTALDH1A1CBFBADORA3ADORA1
SCHEMBL7045019 0.79 HTT (0.66) HTTALDH1A1CBFBHRH4ADORA3
SCHEMBL17277750 0.77 HTT (0.62) HTTALDH1A1HRH4PARP1DHODH
SCHEMBL12619023 0.77 HTT (0.62) HTTALDH1A1HRH4PARP1
SCHEMBL8264541 0.77 HTT (0.62) HTTALDH1A1CBFBEGLN1CDK4
SCHEMBL3969798 0.77 HTT (0.62) HTTALDH1A1HRH4EGLN1PRKCZ
SCHEMBL3968210 0.77 HTT (0.62) HTTALDH1A1ADORA3ADORA1EGLN1

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 18 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-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 (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-20150284422-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 HTT 1526/4885ALDH1A1 2404/4885CBFB 1272/4885
US-20140323421-A1 Combination Therapy for Treating Cancer DOT1L, ASH1L, CARM1 HTT 3604/4885ALDH1A1 1001/4885CBFB 319/4885
US-20160045531-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 HTT 3604/4885ALDH1A1 1001/4885CBFB 319/4885
US-20150342979-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA DOT1L, CARM1, MCL1 HTT 3033/4885ALDH1A1 1884/4885CBFB 258/4885
US-20170137455-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 HTT 1526/4885ALDH1A1 2404/4885CBFB 1272/4885
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 HTT 3604/4885ALDH1A1 1001/4885CBFB 319/4885
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 HTT 2852/4885ALDH1A1 592/4885CBFB 1401/4885

“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.