SCHEMBL4181890

SCHEMBL4181890

Cc1ccc(-c2ncc(Cl)cc2Cl)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 10/20 0.57
▸ PTGS1 P23219 6/20 0.57
▸ ABCC4 O15439 1/20 0.57
▸ ABCB11 O95342 1/20 0.57
▸ PDE4D Q08499 1/20 0.57
▸ MAPK14 Q16539 1/20 0.57
▸ CNR2 P34972 1/20 0.54
▸ HPGDS O60760 1/20 0.42
▸ OPRL1 P41146 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ TDO2 P48775 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ PKM P14618 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ APEX1 P27695 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
SCHEMBL12508142 0.81 CNR2 (0.49) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL17878838 0.80 PTGS2 (0.71) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL3609800 0.80 PTGS2 (0.43) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL4177078 0.79 ALDH1A1 (0.61) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL4155019 0.79 PTGS2 (0.42) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL5551731 0.78 PTGS2 (0.67) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL4421333 0.78 ADH5 (0.44) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL13114284 0.78 PTGS2 (0.67) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL14422875 0.78 PTGS2 (0.67) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL4188475 0.76 CNR2 (0.55) PTGS2PTGS1ABCC4ABCB11PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199965-B2 Benzoimidazole derivatives and pharmaceutical composition comprising the same DAEWOONG CO., LTD. (KR) 2015-12-01 — — US disclosed
EP-1861387-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF DAE WOONG PHARMA (KR) 2014-04-16 — — EP disclosed
US-20090018124-A1 Novel Benzoimidazole Derivatives and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-01-15 — — US disclosed
EP-1861387-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2007-12-05 — — EP disclosed
WO-2006080821-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2006-08-03 — — 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 (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-20090018124-A1 Novel Benzoimidazole Derivatives and Pharmaceutical Composition Comprising the Same TRPV1, TRPA1, BDKRB2 PTGS2 194/4885PTGS1 45/4885ABCC4 1519/4885

“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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