SCHEMBL2959455

SCHEMBL2959455

COc1cc(C=Cc2ccccn2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ATM Q13315 1/20 0.52
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
GRM4 Q14833 2/20 0.43
NFE2L2 Q16236 2/20 0.42
IP6K1 Q92551 1/20 0.42
KDR P35968 1/20 0.41
APP P05067 3/20 0.40
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40

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
SCHEMBL2959452 1.00 NPC1 (0.52) NPC1RAB9AMEN1KMT2AATM
SCHEMBL708169 0.91 NPC1 (0.44) NPC1RAB9AMEN1KMT2AATM
SCHEMBL708168 0.91 NPC1 (0.44) NPC1RAB9AMEN1KMT2AATM
SCHEMBL2955136 0.85 CYP1A2 (0.51) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2955141 0.85 CYP1A2 (0.51) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL21771098 0.80 GLA (0.64) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9000331 0.78 LOX (0.43) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL22708155 0.78 LOX (0.46) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL22010235 0.77 CYP1A1 (0.65) NPC1RAB9APTGS1PTGS2MAPT
SCHEMBL19076166 0.77 RELA (0.60) NPC1RAB9AMEN1KMT2AATM

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-8268868-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-18 US disclosed
US-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-29 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-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES CYP3A5, PDXK, PNPO NPC1 1324/4885RAB9A 3037/4885MEN1 1362/4885

“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.