SCHEMBL4930882

SCHEMBL4930882

COc1ccc(CNc2nc(Cl)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.65
MERTK Q12866 1/20 0.57
MAPT P10636 8/20 0.54
EGFR P00533 1/20 0.52
HTT P42858 3/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 2/20 0.50
RAB9A P51151 1/20 0.50
PRKCQ Q04759 1/20 0.50
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 1/20 0.46
FGFR4 P22455 1/20 0.46
RPS6KB2 Q9UBS0 1/20 0.46
TXNRD1 Q16881 1/20 0.46

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
SCHEMBL29599605 0.86 NPC1 (0.66) NPC1MAPTEGFRHTTGAA
SCHEMBL20703984 0.86 NPC1 (0.66) NPC1MAPTEGFRHTTGAA
SCHEMBL13731898 0.85 MAPT (0.60) NPC1MAPTHTTGAAKMT2A
SCHEMBL3722434 0.85 NPC1 (0.65) NPC1MERTKMAPTEGFRHTT
SCHEMBL30858939 0.85 NPC1 (0.65) NPC1MERTKMAPTEGFRHTT
SCHEMBL1329762 0.83 MAPT (0.58) NPC1MAPTHTTKMT2APRKCQ
SCHEMBL18757880 0.83 NPC1 (0.62) NPC1MAPTEGFRHTTGAA
SCHEMBL18319382 0.83 MAPT (0.64) NPC1MAPTEGFRHTTKMT2A
SCHEMBL27931525 0.81 MAPT (0.58) NPC1MAPTEGFRHTTGAA
SCHEMBL720311 0.81 MERTK (0.61) NPC1MERTKMAPTHTTGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US disclosed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US disclosed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US disclosed
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 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-20080287399-A1 Substituted Aminopyridines and Uses Thereof PSEN2, SLC1A2, PSEN1 NPC1 512/4885MERTK 2644/4885MAPT 4/4885

“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.