SCHEMBL6681330

SCHEMBL6681330

COc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
DNMT1 P26358 1/20 0.57
DNMT3A Q9Y6K1 1/20 0.57
POLB P06746 1/20 0.57
LMNA P02545 5/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
GAA P10253 1/20 0.55
VCAM1 P19320 2/20 0.54
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 2/20 0.52
PKM P14618 2/20 0.52
THRB P10828 1/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPK1 P28482 1/20 0.52
HPGD P15428 1/20 0.52
HSP90AA1 P07900 1/20 0.51

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
SCHEMBL7534716 0.90 ALDH1A1 (0.63) ALDH1A1POLBLMNAL3MBTL1GAA
SCHEMBL6678848 0.90 LMNA (0.67) ALDH1A1POLBLMNAL3MBTL1GAA
SCHEMBL6674654 0.86 ALDH1A1 (0.59) ALDH1A1POLBLMNAL3MBTL1GAA
SCHEMBL6675755 0.86 ALDH1A1 (0.64) ALDH1A1DNMT1DNMT3APOLBLMNA
SCHEMBL6675569 0.86 ALDH1A1 (0.59) ALDH1A1POLBLMNAL3MBTL1GAA
SCHEMBL6674434 0.84 ALDH1A1 (0.60) ALDH1A1POLBLMNAL3MBTL1GAA
SCHEMBL7540075 0.84 ALDH1A1 (0.57) ALDH1A1DNMT1DNMT3APOLBLMNA
SCHEMBL6675298 0.84 ALDH1A1 (0.59) ALDH1A1POLBLMNAL3MBTL1GAA
SCHEMBL7535636 0.83 ALDH1A1 (0.59) ALDH1A1DNMT1DNMT3APOLBLMNA
SCHEMBL6677229 0.82 VCAM1 (0.60) ALDH1A1DNMT1DNMT3APOLBLMNA

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 9 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
EP-1005453-B1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE LOWERING AGENTS TULARIK INC (US) 2004-10-27 EP disclosed
US-6388131-B2 Benzenesulfonamide compounds, which encompasses the compound batabulin (2-Fluoro-1-methoxy-4-pentafluorophenylsulfonamidobenzene) TULARIK, INC. 2002-05-14 US disclosed
US-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents AMGEN INC. 2002-01-31 US disclosed
US-6284923-B1 BENZENESULFONIMIDES FOR TREATMENT OF CANCER AND ANTICHOLESTEROL AGENTS TULARIK INC 2001-09-04 US disclosed
EP-1005453-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK, INC. (US) 2000-06-07 EP disclosed
WO-1999010320-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK INC. (US) 1999-03-04 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-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents CYP46A1, TGFB1, NR1H2 ALDH1A1 1173/4885DNMT1 1160/4885DNMT3A 3560/4885

“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.