SCHEMBL18960439

SCHEMBL18960439

CN(C(=O)c1ccc(CNc2nc3ccc(N)cc3n2C)cc1)c1ccc(Cl)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 1/20 0.41
TBXA2R P21731 1/20 0.41
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
ITK Q08881 2/20 0.37
INSR P06213 1/20 0.37
TXK P42681 1/20 0.37
HTR3A P46098 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR2 P34972 1/20 0.36
CYP3A4 P08684 2/20 0.35
F10 P00742 1/20 0.35
KLKB1 P03952 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
SCHEMBL18965859 0.84 KMT2A (0.39) NPC1RAB9AKMT2ASMN1; SMN2DRD2
SCHEMBL18960435 0.82 F10 (0.52) NPC1RAB9AKMT2ASMN1; SMN2TP53
SCHEMBL18960437 0.77 NPC1 (0.48) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL17488020 0.77 NPC1 (0.47) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL18960433 0.77 NPC1 (0.50) NPC1RAB9AKMT2ASMN1; SMN2DRD2
SCHEMBL17488146 0.77 NPC1 (0.49) NPC1RAB9AKMT2ASMN1; SMN2TP53
SCHEMBL17488172 0.76 CYP3A4 (0.54) NPC1RAB9AKMT2ASMN1; SMN2HTR3A
SCHEMBL18960434 0.76 NPC1 (0.48) NPC1RAB9AKMT2ASMN1; SMN2DRD2
SCHEMBL18960464 0.75 NPC1 (0.43) NPC1RAB9AKMT2ASMN1; SMN2DRD2
SCHEMBL18960407 0.74 NPC1 (0.59) NPC1RAB9AKMT2ASMN1; SMN2DRD2

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 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.