SCHEMBL18965768

SCHEMBL18965768

Cn1c(NCc2ccc(Oc3ccc(Cl)cn3)cc2)nc2ccc(NCCc3ccccn3)cc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.52
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PPARG P37231 1/20 0.40
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
SCN9A Q15858 1/20 0.39
TRPC5 Q9UL62 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
P2RX3 P56373 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL18965817 0.86 CYP3A4 (0.48) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965952 0.86 CYP3A4 (0.53) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965775 0.85 CYP3A4 (0.52) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965856 0.82 CYP3A4 (0.49) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17487722 0.82 RAB9A (0.45) CYP3A4NPC1RAB9ASMN1; SMN2CTNNB1
SCHEMBL17488172 0.79 CYP3A4 (0.54) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965794 0.79 CYP3A4 (0.49) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965974 0.79 CYP3A4 (0.51) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18960414 0.79 CYP3A4 (0.54) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17488173 0.78 CYP3A4 (0.48) CYP3A4NPC1RAB9AKMT2ASMN1; 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 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 CYP3A4 261/4885NPC1 2764/4885RAB9A 3982/4885

“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.