SCHEMBL3490759

SCHEMBL3490759

COc1ccc(-c2cccc([N+](=O)[O-])c2NC(C)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.46
HTR7 P34969 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 1/20 0.44
MAPT P10636 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
MAPK1 P28482 3/20 0.44
POLB P06746 1/20 0.42
EIF4E P06730 1/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GLA P06280 1/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL3489465 0.88 NPC1 (0.52) HSP90AA1HSP90AB1SMN1; SMN2ALDH1A1HPGD
SCHEMBL1253176 0.85 ALDH1A1 (0.56) HSP90AA1HSP90AB1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3489458 0.82 MAPT (0.51) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL15365393 0.82 MEN1 (0.47) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL3489413 0.81 ALDH1A1 (0.53) HSP90AA1HSP90AB1SMN1; SMN2ALDH1A1HPGD
SCHEMBL9185883 0.79 KMT2A (0.56) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL3449044 0.78 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL2961408 0.77 ALDH1A1 (0.65) SMN1; SMN2HTR7ALDH1A1HPGDMAPT
SCHEMBL3491095 0.77 MAPK1 (0.49) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL544031 0.77 KMT2A (0.53) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1

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 HSP90AA1 2932/4885HSP90AB1 2416/4885SMN1; SMN2 3258/4885

“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.