SCHEMBL18960414

SCHEMBL18960414

CN(C)c1ccc2nc(NCc3ccc(Oc4ccc(Cl)cn4)cc3)n(C)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.54
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PPARG P37231 1/20 0.44
MAPK1 P28482 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
GAA P10253 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.42
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.42
KDR P35968 1/20 0.39
LIPE Q05469 1/20 0.39

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
SCHEMBL17488174 0.90 CYP3A4 (0.47) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17488172 0.87 CYP3A4 (0.54) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18960422 0.85 CYP3A4 (0.46) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965952 0.83 CYP3A4 (0.53) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965974 0.83 CYP3A4 (0.51) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965775 0.83 CYP3A4 (0.52) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17488311 0.82 CYP3A4 (0.48) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17488023 0.82 CYP3A4 (0.47) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18960425 0.82 CYP3A4 (0.50) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965794 0.81 CYP3A4 (0.49) 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 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 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.