SCHEMBL18960431

SCHEMBL18960431

Cn1c(NCc2ccc(Oc3ccc(Cl)cc3)cn2)nc2ccc(N)cc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 3/20 0.43
PPARG P37231 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
P2RX3 P56373 7/20 0.38
PKM P14618 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 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
SCHEMBL18960430 0.90 CYP3A4 (0.47) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4
SCHEMBL17488267 0.90 CYP3A4 (0.40) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4
SCHEMBL18960407 0.86 NPC1 (0.59) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4
SCHEMBL18960420 0.84 NPC1 (0.47) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4
SCHEMBL17488238 0.82 NPC1 (0.48) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4
SCHEMBL18960425 0.82 CYP3A4 (0.50) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4
SCHEMBL18960437 0.81 NPC1 (0.48) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4
SCHEMBL18965928 0.81 CYP3A4 (0.38) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4
SCHEMBL17487757 0.80 NPC1 (0.50) NPC1RAB9AKMT2ASMN1; SMN2PKM
SCHEMBL17488172 0.80 CYP3A4 (0.54) 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
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

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.