SCHEMBL3857628

SCHEMBL3857628

CCCCCc1nc2c(CCCCC)cccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ PTGS2 P35354 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ GPR84 Q9NQS5 5/20 0.41
▸ PARP1 P09874 1/20 0.39
▸ LIPG Q9Y5X9 1/20 0.39

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
SCHEMBL16097301 0.98 POLB (0.46) POLBPTGS2KCNH2GPR84LIPG
SCHEMBL8169941 0.92 POLB (0.46) POLBKCNH2GPR84PARP1
SCHEMBL11498419 0.90 LIPG (0.40) PTGS2KCNH2LIPG
SCHEMBL6753968 0.84 POLB (0.47) POLB
SCHEMBL5280975 0.84 HPGD (0.39) POLBPTGS2KCNH2GPR84
SCHEMBL6755300 0.83 POLB (0.46) POLBKCNH2GPR84
SCHEMBL15553340 0.83 KCNH2 (0.45) PTGS2KCNH2GPR84
SCHEMBL6759148 0.83 POLB (0.46) POLBKCNH2GPR84
SCHEMBL6756127 0.83 POLB (0.46) POLBKCNH2GPR84
SCHEMBL6759162 0.83 POLB (0.46) POLBKCNH2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482928-B1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS,COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2009-09-23 — — EP disclosed
US-7345075-B2 6-[(1,2-diphenyl-1H-benzimidazol-6-yl)oxy]hexanoic acid isopropyl ester; antiinflammatory agents; microglia activators; neurodegenerative diseases SCHERING AKTIENGESELLSCHAFT (DE) 2008-03-18 — — US disclosed
US-7329679-B2 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2008-02-12 — — US disclosed
US-7115645-B2 1,2 diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-10-03 — — US disclosed
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-14 — — US disclosed
US-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-04 — — US disclosed
EP-1077700-B1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF IgE AVANIR PHARMACEUTICALS (US) 2005-04-06 — — EP disclosed
EP-1079830-A1 BENZIMIDAZOLE ANALOGS AS DOWN-REGULATORS OF IgE Avanir Pharmaceuticals (US) 2001-03-07 — — EP disclosed
EP-1077700-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF IgE Avanir Pharmaceuticals (US) 2001-02-28 — — EP disclosed
WO-1999061019-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF IgE AVANIR PHARMACEUTICALS (US) 1999-12-02 — — WO disclosed
WO-1999061020-A1 BENZIMIDAZOLE ANALOGS AS DOWN-REGULATORS OF IgE AVANIR PHARMACEUTICALS (US) 1999-12-02 — — 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-20060094770-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG POLB 3017/4885PTGS2 24/4885KCNH2 1994/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG POLB 3017/4885PTGS2 24/4885KCNH2 1994/4885

“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.

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