SCHEMBL17487429

SCHEMBL17487429

Cn1c(NCc2ccc(Oc3ncc4ccc(Cl)cc4n3)cc2)nc2ccc(N)cc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 7/20 0.42
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
KDR P35968 1/20 0.38
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
ALOX12 P18054 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 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
SCHEMBL18965886 0.94 NPC1 (0.47) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4
SCHEMBL18960426 0.89 NPC1 (0.48) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4
SCHEMBL17488133 0.86 NPC1 (0.49) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4
SCHEMBL17488244 0.86 NPC1 (0.48) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4
SCHEMBL17488115 0.85 NPC1 (0.50) NPC1RAB9AKMT2ASMN1; SMN2KDR
SCHEMBL18960407 0.85 NPC1 (0.59) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4
SCHEMBL17488120 0.84 NPC1 (0.46) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4
SCHEMBL17488118 0.84 NPC1 (0.44) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4
SCHEMBL17488264 0.84 NPC1 (0.48) NPC1RAB9AKMT2ASMN1; SMN2KDR
SCHEMBL18960465 0.84 NPC1 (0.43) NPC1RAB9AKMT2ASMN1; SMN2CYP3A4

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
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO 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.