SCHEMBL17488117

SCHEMBL17488117

Cn1c(NCc2ccc(Oc3ccc(OC(F)(F)F)cn3)cc2)nc2ccc(N)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
CYP3A4 P08684 2/20 0.40
TRPC5 Q9UL62 1/20 0.40
KDR P35968 1/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCN9A Q15858 2/20 0.37
SCN10A Q9Y5Y9 2/20 0.37
SCN7A Q01118 1/20 0.37
KCNH2 Q12809 1/20 0.37
GPR39 O43194 1/20 0.36
BRD4 O60885 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 2/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL18960455 0.90 NPC1 (0.44) RAB9ANPC1CYP3A4TRPC5KDR
SCHEMBL18960428 0.89 NPC1 (0.47) RAB9ANPC1CYP3A4TRPC5KDR
SCHEMBL18960418 0.89 NPC1 (0.44) RAB9ANPC1CYP3A4SCN9ASCN10A
SCHEMBL18960442 0.89 NPC1 (0.47) RAB9ANPC1CYP3A4KDRKMT2A
SCHEMBL18960432 0.88 NPC1 (0.46) RAB9ANPC1CYP3A4KDRKMT2A
SCHEMBL17488234 0.87 NPC1 (0.48) RAB9ANPC1CYP3A4KDRKMT2A
SCHEMBL17488172 0.86 CYP3A4 (0.54) RAB9ANPC1CYP3A4KDRKMT2A
SCHEMBL18960425 0.84 CYP3A4 (0.50) RAB9ANPC1CYP3A4KDRKMT2A
SCHEMBL17488239 0.83 OPRM1 (0.47) RAB9ANPC1CYP3A4KDRKMT2A
SCHEMBL17487343 0.83 NPC1 (0.45) RAB9ANPC1KDRKMT2ASMN1; SMN2

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 RAB9A 3982/4885NPC1 2764/4885CYP3A4 261/4885

“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.