SCHEMBL7541541

SCHEMBL7541541

COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.61
POLB P06746 1/20 0.61
LMNA P02545 6/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
HTT P42858 3/20 0.58
MAPT P10636 3/20 0.58
THRB P10828 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAPK1 P28482 2/20 0.54
GAA P10253 1/20 0.50
KIT P10721 1/20 0.50
ALOX15 P16050 1/20 0.48
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL6680388 0.93 ALDH1A1 (0.61) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL6680387 0.91 ALDH1A1 (0.61) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL6678286 0.90 ALDH1A1 (0.57) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL6675755 0.90 ALDH1A1 (0.64) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL7534865 0.88 ALDH1A1 (0.55) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL6675545 0.88 ALDH1A1 (0.58) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL7538266 0.86 ALDH1A1 (0.59) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL7534716 0.85 ALDH1A1 (0.63) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL6674669 0.85 LMNA (0.67) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL7537192 0.85 ALDH1A1 (0.55) ALDH1A1POLBLMNAMEN1KMT2A

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 ALDH1A1 1173/4885POLB 638/4885LMNA 2006/4885

“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.