SCHEMBL17488146

SCHEMBL17488146

Cn1c(NCc2ccc(Nc3ncc(Cl)cn3)cc2)nc2ccc(N)cc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GFER P55789 1/20 0.39
ABL1 P00519 2/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
SRC P12931 1/20 0.39
PDGFRA P16234 1/20 0.39
MAPK14 Q16539 1/20 0.39
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL18960426 0.82 NPC1 (0.48) NPC1RAB9AKMT2ASMN1; SMN2HTR3A
SCHEMBL17488139 0.82 NPC1 (0.43) NPC1RAB9AKMT2ASMN1; SMN2GFER
SCHEMBL17488030 0.82 PLK4 (0.46) NPC1RAB9AKMT2ASMN1; SMN2ABL1
SCHEMBL17488020 0.82 NPC1 (0.47) NPC1RAB9AKMT2ASMN1; SMN2GFER
SCHEMBL18960440 0.80 SMN1; SMN2 (0.46) NPC1RAB9AKMT2ASMN1; SMN2HTR3A
SCHEMBL18960433 0.80 NPC1 (0.50) NPC1RAB9AKMT2ASMN1; SMN2GFER
SCHEMBL17488172 0.79 CYP3A4 (0.54) NPC1RAB9AKMT2ASMN1; SMN2HTR3A
SCHEMBL18960441 0.79 PPARG (0.47) NPC1RAB9AKMT2ASMN1; SMN2MAPK1
SCHEMBL18960434 0.78 NPC1 (0.48) NPC1RAB9AKMT2ASMN1; SMN2GFER
SCHEMBL18960407 0.78 NPC1 (0.59) NPC1RAB9AKMT2ASMN1; SMN2HTR3A

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 3 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
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.