SCHEMBL2335708

SCHEMBL2335708

Clc1c(Br)cccc1-c1cccnn1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.35
HTR2A P28223 2/20 0.33
CNR2 P34972 5/20 0.33
HSD11B1 P28845 1/20 0.33
LMNA P02545 1/20 0.33
HTR2B P41595 1/20 0.32
CASP6 P55212 1/20 0.32
GRM5 P41594 1/20 0.31
CNR1 P21554 2/20 0.31
P2RX7 Q99572 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
NOTUM Q6P988 1/20 0.31
IDO1 P14902 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL20472405 0.81 CNR2 (0.47) CNR2GRM5CNR1P2RX7NOTUM
SCHEMBL8893831 0.81 LMNA (0.48) HTR2CHTR2AHSD11B1LMNACASP6
SCHEMBL29746355 0.75 TRIM24 (0.36) HTR2CHTR2ACNR2LMNAHTR2B
SCHEMBL10765944 0.73 IDO1 (0.46) HTR2CHTR2ACNR2HSD11B1LMNA
SCHEMBL2335710 0.70 PIEZO1 (0.42) P2RX7NPC1RAB9A
SCHEMBL3704382 0.69 HTR2C (0.38) HTR2CHTR2AHTR2BCASP6P2RX7
SCHEMBL29442588 0.68 GOT1 (0.46) HTR2CHTR2ALMNAHTR2BCASP6
SCHEMBL1456807 0.68 GOT1 (0.46) HTR2CHTR2ALMNAHTR2BCASP6
SCHEMBL30792004 0.68 GOT1 (0.46) HTR2CHTR2ALMNAHTR2BCASP6
SCHEMBL8893378 0.68 CDC25B (0.36) HTR2CLMNAGRM5NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362731-B1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2016-04-06 EP disclosed
EP-2352374-B1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-8563746-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2013-10-22 US disclosed
US-8329914-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2012-12-11 US disclosed
US-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-08 US disclosed
US-20110195964-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2011-08-11 US disclosed
EP-2352374-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS Merck Sharp & Dohme Corp. (US) 2011-08-10 EP disclosed
WO-2010051176-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO 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-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 HTR2C 3542/4885HTR2A 3633/4885CNR2 3498/4885
US-20110195964-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 HTR2C 3542/4885HTR2A 3633/4885CNR2 3498/4885

“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.