SCHEMBL17488024

SCHEMBL17488024

Cn1nc(Nc2ccc3nc(NCc4ccc(Oc5ncc(Cl)cn5)cc4)n(C)c3c2)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCHR1 Q99705 2/20 0.36
KDR P35968 5/20 0.36
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 3/20 0.34
BRAF P15056 2/20 0.34
RAF1 P04049 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TEK Q02763 1/20 0.33

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
SCHEMBL18965884 0.93 LMNA (0.39) NPC1RAB9AKMT2ASMN1; SMN2MAPK1
SCHEMBL17488323 0.93 MCHR1 (0.40) NPC1RAB9AMCHR1KDRBRAF
SCHEMBL18965822 0.91 CYP3A4 (0.45) NPC1RAB9AKMT2ASMN1; SMN2MCHR1
SCHEMBL18965883 0.89 KDR (0.35) NPC1RAB9ASMN1; SMN2MCHR1KDR
SCHEMBL17488022 0.89 NPC1 (0.41) NPC1RAB9AKMT2ASMN1; SMN2KDR
SCHEMBL18965990 0.88 NPC1 (0.39) NPC1RAB9AKMT2ASMN1; SMN2MCHR1
SCHEMBL17488051 0.88 MAPK1 (0.37) NPC1RAB9AKMT2ASMN1; SMN2KDR
SCHEMBL17488327 0.87 NPC1 (0.39) NPC1RAB9AKMT2ASMN1; SMN2MCHR1
SCHEMBL18965961 0.86 NPC1 (0.41) NPC1RAB9AKMT2ASMN1; SMN2KDR
SCHEMBL17488319 0.86 TP53 (0.39) NPC1RAB9ASMN1; SMN2MCHR1KDR

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.