SCHEMBL7540532

SCHEMBL7540532

COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.62
ALDH1A1 P00352 6/20 0.60
POLB P06746 2/20 0.60
PLAU P00749 2/20 0.59
MAPT P10636 3/20 0.59
LMNA P02545 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPK1 P28482 2/20 0.58
GAA P10253 1/20 0.58
HPGD P15428 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PGR P06401 2/20 0.56
CYP19A1 P11511 1/20 0.55
PKM P14618 1/20 0.55

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
SCHEMBL7573187 0.89 ALDH1A1 (0.66) ALDH3A1ALDH1A1POLBPLAUMAPT
SCHEMBL6677229 0.88 VCAM1 (0.60) ALDH3A1ALDH1A1POLBPLAUMAPT
SCHEMBL6680721 0.88 ALDH3A1 (0.58) ALDH3A1ALDH1A1POLBPLAUMAPT
SCHEMBL6676324 0.88 ALDH1A1 (0.58) ALDH3A1ALDH1A1POLBPLAUMAPT
SCHEMBL11483962 0.88 MEN1 (0.59) ALDH3A1ALDH1A1POLBPLAUMAPT
SCHEMBL6680004 0.86 ALDH1A1 (0.58) ALDH3A1ALDH1A1POLBPLAUMAPT
SCHEMBL7536287 0.86 ALDH3A1 (0.65) ALDH3A1ALDH1A1POLBPLAUMAPT
SCHEMBL7534285 0.84 ALDH3A1 (0.63) ALDH3A1ALDH1A1PLAUMAPTLMNA
SCHEMBL6675634 0.83 ALDH1A1 (0.60) ALDH3A1ALDH1A1POLBPLAUMAPT
SCHEMBL6674427 0.82 ALDH3A1 (0.60) ALDH3A1ALDH1A1POLBPLAUMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents AMGEN INC. 2002-01-31 US claimed
EP-1005453-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK, INC. (US) 2000-06-07 EP claimed
WO-1999010320-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK INC. (US) 1999-03-04 WO claimed

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-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents CYP46A1, TGFB1, NR1H2 ALDH3A1 3070/4885ALDH1A1 1173/4885POLB 638/4885

“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.