SCHEMBL17488270

SCHEMBL17488270

Cc1cc(Oc2ncc(Cl)cn2)cc(C)c1CNc1nc2ccc(N)cc2n1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARG P37231 8/20 0.37
LCK P06239 1/20 0.36
TP53 P04637 1/20 0.35
KDM4E B2RXH2 2/20 0.34
PKM P14618 1/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL18960459 0.89 NPC1 (0.36) NPC1RAB9AKMT2ASMN1; SMN2PPARG
SCHEMBL18960445 0.89 KDM4E (0.45) NPC1RAB9AKMT2ASMN1; SMN2PPARG
SCHEMBL18960426 0.86 NPC1 (0.48) NPC1RAB9AKMT2ASMN1; SMN2TP53
SCHEMBL18960456 0.84 NPC1 (0.42) NPC1RAB9AKMT2ASMN1; SMN2LCK
SCHEMBL17488267 0.84 CYP3A4 (0.40) NPC1RAB9AKMT2ASMN1; SMN2PPARG
SCHEMBL18960449 0.82 GAA (0.42) NPC1RAB9AKMT2ASMN1; SMN2PPARG
SCHEMBL17488226 0.81 NPC1 (0.32) NPC1RAB9AKMT2ASMN1; SMN2LCK
SCHEMBL17487993 0.80 RAB9A (0.43) NPC1RAB9AKMT2ASMN1; SMN2TP53
SCHEMBL18960460 0.80 TP53 (0.41) NPC1RAB9AKMT2ASMN1; SMN2LCK
SCHEMBL17488264 0.79 NPC1 (0.48) NPC1RAB9AKMT2ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 NPC1 2764/4885RAB9A 3982/4885KMT2A 4213/4885

“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.