SCHEMBL18960418

SCHEMBL18960418

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
SCN7A Q01118 3/20 0.43
KCNH2 Q12809 3/20 0.43
SCN9A Q15858 9/20 0.42
LMNA P02545 1/20 0.42
LIPE Q05469 1/20 0.41
THRB P10828 1/20 0.41
SCN10A Q9Y5Y9 2/20 0.41
SCN5A Q14524 1/20 0.41
MCHR1 Q99705 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 1/20 0.40

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
SCHEMBL17488117 0.89 RAB9A (0.44) NPC1RAB9ATP53GAAMAPT
SCHEMBL17488114 0.89 NPC1 (0.45) NPC1RAB9ATP53GAAMAPT
SCHEMBL18960432 0.88 NPC1 (0.46) NPC1RAB9ATP53GAAMAPT
SCHEMBL18960442 0.87 NPC1 (0.47) NPC1RAB9ATP53GAAMAPT
SCHEMBL17488234 0.87 NPC1 (0.48) NPC1RAB9ATP53GAAMAPT
SCHEMBL17488172 0.86 CYP3A4 (0.54) NPC1RAB9ACYP3A4
SCHEMBL18960425 0.84 CYP3A4 (0.50) NPC1RAB9AMAPTLMNACYP3A4
SCHEMBL17488239 0.83 OPRM1 (0.47) NPC1RAB9AGAASCN9ALMNA
SCHEMBL17487343 0.83 NPC1 (0.45) NPC1RAB9ATP53GAAMAPT
SCHEMBL17488253 0.82 SCN9A (0.46) SCN7AKCNH2SCN9ASCN10ASCN5A

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 3982/4885TP53 2004/4885

“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.