SCHEMBL10225451

SCHEMBL10225451

[C-]#[N+]c1cccc(-c2ccc3[nH]c(NC(=O)c4cn5cccc(C)c5n4)nc3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 3/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.38
ABL1 P00519 3/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
ENPP2 Q13822 1/20 0.34
PKM P14618 2/20 0.34
OPRK1 P41145 1/20 0.34
KLF5 Q13887 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL2135751 0.89 ABL1 (0.43) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL2134001 0.88 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL2135031 0.86 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL2139061 0.85 ABL1 (0.48) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL2135866 0.85 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL2133800 0.85 NPC1 (0.39) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL2133207 0.83 NPC1 (0.38) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL2138344 0.83 MTOR (0.41) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL2135220 0.83 NPC1 (0.39) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL2135025 0.83 MTOR (0.43) NPC1RAB9ASMN1; SMN2KDM4ETP53

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-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-26 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-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP NPC1 289/4885RAB9A 2165/4885SMN1; SMN2 585/4885

“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.