SCHEMBL7657590

SCHEMBL7657590

Nc1cc(-c2ccccc2)c(-c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.58
ALDH1A1 P00352 3/20 0.58
HSP90AA1 P07900 1/20 0.56
CDK5 Q00535 1/20 0.56
CDK5R1 Q15078 1/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.53
POLB P06746 2/20 0.53
MAPK1 P28482 2/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
TSHR P16473 2/20 0.48
CYP3A4 P08684 2/20 0.48
ALOX15 P16050 1/20 0.48
LMNA P02545 1/20 0.46
PSMD14 O00487 1/20 0.45
PRKACA P17612 1/20 0.45
CASP6 P55212 1/20 0.45
TP53 P04637 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
SCHEMBL10713235 0.93 TDP1 (0.58) TDP1ALDH1A1HSP90AA1CDK5CDK5R1
SCHEMBL10535570 0.88 TDP1 (0.53) TDP1ALDH1A1HSP90AA1CDK5CDK5R1
SCHEMBL25932256 0.86 TDP1 (0.51) TDP1ALDH1A1HSP90AA1CDK5CDK5R1
SCHEMBL12364210 0.86 TDP1 (0.51) TDP1ALDH1A1HSP90AA1CDK5CDK5R1
SCHEMBL5951526 0.86 TDP1 (0.51) TDP1ALDH1A1HSP90AA1CDK5CDK5R1
SCHEMBL2264423 0.84 TDP1 (0.49) TDP1ALDH1A1HSP90AA1CDK5CDK5R1
SCHEMBL2544759 0.84 TDP1 (0.49) TDP1ALDH1A1HSP90AA1CDK5CDK5R1
SCHEMBL7653302 0.82 TDP1 (0.50) TDP1ALDH1A1HSP90AA1CDK5CDK5R1
SCHEMBL30038896 0.82 TDP1 (0.47) TDP1ALDH1A1HSP90AA1CDK5CDK5R1
SCHEMBL15461976 0.82 ALDH1A1 (0.69) TDP1ALDH1A1MEN1KMT2AMAPT

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-6399642-B2 TRIS BENZIMIDAZOLES; FUNGICIDES, ANTICARCINOGENIC AGENTS, ENZYME INHIBITOR RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2002-06-04 US disclosed
US-20010009919-A1 Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2001-07-26 US disclosed
US-6221892-B1 Heterocyclic topoisomerase poisons THE STATE OF UNIVERSITY OF NEW JERSEY, RUTGERS 2001-04-24 US disclosed
EP-1054870-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-11-29 EP disclosed
US-6063801-A Heterocyclic topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-05-16 US disclosed
WO-1999041241-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-08-19 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-20010009919-A1 Heterocyclic topoisomerase poisons TOP1, TOP2A, TOP2B TDP1 4/4885ALDH1A1 2485/4885HSP90AA1 1029/4885

“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.