SCHEMBL4186401

SCHEMBL4186401

c1cnc2[nH]c(-c3ccc(-n4cccc4)cc3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 1/20 0.42
AURKA O14965 4/20 0.40
HPSE Q9Y251 3/20 0.38
KDM4E B2RXH2 4/20 0.37
LDHA P00338 1/20 0.37
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL4195594 0.80 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HPSEKDM4E
SCHEMBL2668125 0.79 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPK1HPSE
SCHEMBL9975911 0.78 HPSE (0.41) NPC1RAB9ASMN1; SMN2AURKAHPSE
SCHEMBL6245186 0.78 MAPT (0.58) NPC1RAB9ASMN1; SMN2MAPK1HPSE
SCHEMBL9692278 0.78 KDM4E (0.54) NPC1RAB9ASMN1; SMN2MAPK1HPSE
Methane SCHEMBL9692076 0.77 KDM4E (0.53) NPC1RAB9ASMN1; SMN2MAPK1KDM4E
SCHEMBL31473450 0.77 TNKS (0.54) NPC1RAB9ASMN1; SMN2AURKAKDM4E
SCHEMBL15633796 0.77 NPC1 (0.46) NPC1RAB9ASMN1; SMN2AURKAKDM4E
SCHEMBL5320202 0.76 NPC1 (0.40) NPC1RAB9ASMN1; SMN2AURKAHPSE
SCHEMBL3237120 0.75 TRPV1 (0.56)

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
US-20090018124-A1 Novel Benzoimidazole Derivatives and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-01-15 US claimed
US-9199965-B2 Benzoimidazole derivatives and pharmaceutical composition comprising the same DAEWOONG CO., LTD. (KR) 2015-12-01 US disclosed
US-9199965-B2 Benzoimidazole derivatives and pharmaceutical composition comprising the same DAEWOONG CO., LTD. (KR) 2015-12-01 US disclosed
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
US-20090018124-A1 Novel Benzoimidazole Derivatives and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-01-15 US disclosed
US-20090018124-A1 Novel Benzoimidazole Derivatives and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-01-15 US 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 NPC1 1781/4885RAB9A 2689/4885SMN1; SMN2 1331/4885

“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.