SCHEMBL4938289

SCHEMBL4938289

COc1ccc(CNc2nc(Oc3ccccc3)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.61
EGFR P00533 1/20 0.55
MAPT P10636 6/20 0.51
NPSR1 Q6W5P4 2/20 0.50
MAPK8 P45983 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
TXNRD1 Q16881 2/20 0.47
PRKCQ Q04759 1/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
APP P05067 1/20 0.46
MAPK1 P28482 2/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MERTK Q12866 1/20 0.44

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 0.88 NPC1 (0.66) NPC1EGFRMAPTNPSR1KDM4E
SCHEMBL20703984 0.88 NPC1 (0.66) NPC1EGFRMAPTNPSR1KDM4E
SCHEMBL3722434 0.80 NPC1 (0.65) NPC1EGFRMAPTNPSR1MAPK8
SCHEMBL30858939 0.80 NPC1 (0.65) NPC1EGFRMAPTNPSR1MAPK8
SCHEMBL4930882 0.80 NPC1 (0.65) NPC1EGFRMAPTNPSR1KDM4E
SCHEMBL15385039 0.78 MAOA (0.43) NPC1MAPTNPSR1MAPK8KDM4E
SCHEMBL9538744 0.78 TXNRD1 (0.59) NPC1MAPTHTTTXNRD1PRKCQ
SCHEMBL12210807 0.76 MAPT (0.43) NPC1MAPTALDH1A1TXNRD1RAB9A
SCHEMBL9536527 0.76 NPC1 (1.00) NPC1EGFRMAPTNPSR1KDM4E
SCHEMBL18757879 0.74 NPC1 (0.63) NPC1EGFRMAPTNPSR1MAPK8

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 512/4885EGFR 4206/4885MAPT 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.