SCHEMBL12427685

SCHEMBL12427685

O=C(O)c1cc(-c2ccccc2)cc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
ALOX5 P09917 4/20 0.55
DHODH Q02127 2/20 0.53
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
KMO O15229 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
CYP19A1 P11511 1/20 0.50
ATM Q13315 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL8840168 0.91 CYP19A1 (0.60) TP53POLBALOX5TDP1SMN1; SMN2
SCHEMBL31548560 0.89 CYP19A1 (0.58) TP53POLBALOX5TDP1SMN1; SMN2
SCHEMBL17547789 0.87 ALDH1A1 (0.58) TP53POLBMAPK1ALOX5SMN1; SMN2
SCHEMBL3712556 0.85 MAPT (0.50) TP53ALOX5TDP1SMN1; SMN2CYP19A1
SCHEMBL1510458 0.85 TP53 (0.50) TP53POLBMAPK1ALOX5TDP1
SCHEMBL29727672 0.85 TP53 (0.50) TP53POLBMAPK1ALOX5TDP1
SCHEMBL18172435 0.85 BCL2L1 (0.53) TP53POLBMAPK1ALOX5TDP1
SCHEMBL18285305 0.85 TP53 (0.50) TP53POLBMAPK1ALOX5TDP1
SCHEMBL311273 0.85 DHODH (0.51) TP53POLBMAPK1DHODHTDP1
SCHEMBL29727642 0.85 BCL2L1 (0.53) TP53POLBMAPK1ALOX5TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3793996-A1 KINASE INHIBITORS The University of Manchester (GB) 2021-03-24 EP disclosed
CN-112119077-A Kinase inhibitors 曼彻斯特大学 2020-12-22 CN disclosed
US-7981914-B2 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2011-07-19 US disclosed
US-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 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-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof AR, NAT1, TBXA2R TP53 3030/4885POLB 3956/4885MAPK1 3528/4885

“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.