SCHEMBL17488150

SCHEMBL17488150

Cn1c(NCc2ccc3c(ccn3-c3ccc(Cl)cn3)c2)nc2ccc(NC3COC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GFER P55789 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP3A4 P08684 2/20 0.31
MCHR1 Q99705 3/20 0.31
P2RX3 P56373 1/20 0.31
KCNH2 Q12809 1/20 0.31
CHRNA7 P36544 1/20 0.31
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL18960463 0.82 NPC1 (0.45) NPC1RAB9AKMT2ASMN1; SMN2GFER
SCHEMBL18965614 0.82 CYP3A4 (0.42) NPC1RAB9AKMT2ASMN1; SMN2GFER
SCHEMBL18965813 0.81 NPC1 (0.40) NPC1RAB9AKMT2ASMN1; SMN2GFER
SCHEMBL18965949 0.81 NPC1 (0.43) NPC1RAB9AKMT2ASMN1; SMN2GFER
SCHEMBL17488139 0.81 NPC1 (0.43) NPC1RAB9AKMT2ASMN1; SMN2GFER
SCHEMBL17488173 0.80 CYP3A4 (0.48) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4
SCHEMBL18963657 0.80 MCHR1 (0.43) NPC1RAB9AKMT2ASMN1; SMN2GFER
SCHEMBL17487989 0.80 RAB9A (0.38) NPC1RAB9AKMT2ASMN1; SMN2GFER
SCHEMBL18965780 0.79 CYP3A4 (0.39) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4
SCHEMBL18965841 0.79 CYP3A4 (0.38) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4

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 2 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
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.