SCHEMBL3926767

SCHEMBL3926767

NCc1cccc(OCCCOCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.50
BCHE P06276 2/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
C1S P09871 1/20 0.44
PRSS3 P35030 1/20 0.44
CFD P00746 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44

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
SCHEMBL29818997 0.88 TAAR1 (0.55) MAOBBCHECYP4F2CYP4A11F2
SCHEMBL2204444 0.88 TAAR1 (0.55) MAOBBCHECYP4F2CYP4A11F2
SCHEMBL2570826 0.87 TAAR1 (0.49) MAOBCFD
SCHEMBL2204754 0.87 CYP4F2 (0.50) MAOBBCHECYP4F2CYP4A11
SCHEMBL29818962 0.84 TAAR1 (0.55) MAOB
SCHEMBL2207600 0.84 TAAR1 (0.55) MAOB
SCHEMBL2573622 0.84 TAAR1 (0.49) MAOBCFD
SCHEMBL2204637 0.84 CYP4F2 (0.50) MAOBBCHECYP4F2CYP4A11
SCHEMBL538599 0.83 MAOB (0.70) MAOBBCHECYP4F2CYP4A11NOS1
SCHEMBL30207536 0.83 MAOB (0.70) MAOBBCHECYP4F2CYP4A11NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698635-B1 BENZIMIDAZOLE DERIVATIVES AND MEDICAL USES THEREOF KISSEI PHARMACEUTICAL (JP) 2011-12-14 EP disclosed
US-7547680-B2 Benzimidazole derivatives and medical uses thereof KISSEI PHARMACEUTICALS, CO., LTD. (JP) 2009-06-16 US disclosed
US-20080038242-A1 Benzimidazole derivatives and medical uses thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 US disclosed
EP-1698635-A1 BENZIMIDAZOLE DERIVATIVES AND MEDICAL USES THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2006-09-06 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 (1 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-20080038242-A1 Benzimidazole derivatives and medical uses thereof SLCO1B3, SLCO2A1, SLCO2B1 MAOB 725/4885BCHE 1689/4885CYP4F2 251/4885

“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.