SCHEMBL18960422

SCHEMBL18960422

CCN(c1ccc2nc(NCc3ccc(Oc4ccc(Cl)cn4)cc3)n(C)c2c1)C1COC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PPARG P37231 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 2/20 0.36
P2RX3 P56373 10/20 0.35
MAPT P10636 1/20 0.35

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 0.91 CYP3A4 (0.47) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18960414 0.85 CYP3A4 (0.54) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17488173 0.82 CYP3A4 (0.48) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17488172 0.79 CYP3A4 (0.54) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965860 0.78 CYP3A4 (0.44) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17488311 0.78 CYP3A4 (0.48) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17488307 0.76 CYP3A4 (0.41) CYP3A4TP53P2RX3
SCHEMBL18965614 0.76 CYP3A4 (0.42) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965952 0.75 CYP3A4 (0.53) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17488008 0.75 CYP3A4 (0.41) 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.