SCHEMBL18965787

SCHEMBL18965787

Cn1c(NCc2ccc(Oc3ncc(Cl)cn3)cc2)nc2ccc(Nc3ccccn3)cc21

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.39
P2RX3 P56373 1/20 0.38

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 0.90 CYP3A4 (0.48) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL18965955 0.88 NPC1 (0.47) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL17488021 0.87 NPC1 (0.43) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL17488243 0.87 PLK4 (0.42) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL18965885 0.87 NPC1 (0.42) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL18965961 0.86 NPC1 (0.41) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL17488022 0.85 NPC1 (0.41) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL18965990 0.83 NPC1 (0.39) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL17488140 0.83 PIK3C3 (0.40) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL17488024 0.83 NPC1 (0.39) NPC1RAB9AKMT2ASMN1; SMN2KDM4E

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 3982/4885KMT2A 4213/4885

“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.