SCHEMBL3489465

SCHEMBL3489465

COc1cccc(-c2cccc([N+](=O)[O-])c2NC(C)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
FBP1 P09467 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
ADORA3 P0DMS8 2/20 0.46
ADORA2B P29275 2/20 0.46
ADORA1 P30542 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ADORA2A P29274 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 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
SCHEMBL3490759 0.88 HSP90AA1 (0.50) NPC1RAB9AHSP90AA1HSP90AB1ALDH1A1
SCHEMBL1253176 0.83 ALDH1A1 (0.56) HSP90AA1HSP90AB1ALDH1A1MEN1KMT2A
SCHEMBL2957169 0.80 NPC1 (0.70) NPC1RAB9ACASP3SENP7ALDH1A1
SCHEMBL30785680 0.80 NPC1 (0.70) NPC1RAB9ACASP3SENP7ALDH1A1
SCHEMBL3489413 0.79 ALDH1A1 (0.53) NPC1RAB9AHSP90AA1HSP90AB1ALDH1A1
SCHEMBL27292647 0.78 RAB9A (0.60) NPC1RAB9ACASP3SENP7ALDH1A1
SCHEMBL3491095 0.78 MAPK1 (0.49) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL15365393 0.77 MEN1 (0.47) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9185883 0.77 KMT2A (0.56) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3491442 0.77 NPC1 (0.58) NPC1RAB9ACASP3SENP7ALDH1A1

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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A NPC1 2467/4885RAB9A 979/4885CASP3 2364/4885

“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.