SCHEMBL18965614

SCHEMBL18965614

Cn1c(NCc2ccc(Oc3ccc(Cl)cn3)nc2)nc2ccc(NC3COC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 1/20 0.36
P2RX3 P56373 8/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
GFER P55789 1/20 0.34
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL18965860 0.93 CYP3A4 (0.44) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17488173 0.93 CYP3A4 (0.48) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965949 0.91 NPC1 (0.43) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965780 0.90 CYP3A4 (0.39) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965841 0.90 CYP3A4 (0.38) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965948 0.87 CYP3A4 (0.40) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965850 0.87 CYP3A4 (0.41) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965852 0.86 CYP3A4 (0.41) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18965926 0.85 CYP3A4 (0.41) CYP3A4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL17488307 0.85 CYP3A4 (0.41) CYP3A4P2RX3

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.