SCHEMBL18960428

SCHEMBL18960428

Cn1c(NCc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)nc2ccc(N)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
TRPC5 Q9UL62 1/20 0.44
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 1/20 0.42
IDH1 O75874 2/20 0.41
KCNN3 Q9UGI6 1/20 0.41
BRD4 O60885 1/20 0.40
TP53 P04637 3/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
PPARG P37231 1/20 0.38

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) NPC1RAB9ATRPC5CYP3A4SMN1; SMN2
SCHEMBL17488117 0.89 RAB9A (0.44) NPC1RAB9ATRPC5CYP3A4SMN1; SMN2
SCHEMBL18960407 0.86 NPC1 (0.59) NPC1RAB9ACYP3A4SMN1; SMN2KMT2A
SCHEMBL17487343 0.85 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL17487757 0.84 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL17488114 0.83 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL17488238 0.82 NPC1 (0.48) NPC1RAB9ACYP3A4SMN1; SMN2KMT2A
SCHEMBL17488115 0.82 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL17488225 0.82 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL17488268 0.82 CYP3A4 (0.45) NPC1RAB9ACYP3A4SMN1; SMN2IDH1

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 3982/4885TRPC5 1039/4885

“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.