SCHEMBL18965764

SCHEMBL18965764

Cn1c(NCc2ccc(Oc3ccc(Cl)nc3)cc2)nc2ccc(NC3COC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.37
TP53 P04637 3/20 0.37
LMNA P02545 2/20 0.36
KDR P35968 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
MAPT P10636 1/20 0.36
CYP3A4 P08684 2/20 0.35
PDE10A Q9Y233 1/20 0.33
P2RX3 P56373 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL17488220 0.92 NPC1 (0.42) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL18965766 0.90 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL18965767 0.90 NPC1 (0.40) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL18965858 0.89 NPC1 (0.42) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL18965925 0.88 NPC1 (0.41) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL17487340 0.87 SCN9A (0.45) NPC1RAB9AALDH1A1TP53KDR
SCHEMBL17488173 0.86 CYP3A4 (0.48) NPC1RAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL17488309 0.86 NPC1 (0.40) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL18965928 0.86 CYP3A4 (0.38) NPC1RAB9ASMN1; SMN2KMT2AKDR
SCHEMBL17487344 0.86 NPC1 (0.41) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1

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 1 patent. 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

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 3982/4885SMN1; SMN2 3381/4885

“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.