SCHEMBL6675755

SCHEMBL6675755

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.64
LMNA P02545 6/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
HTT P42858 3/20 0.64
MAPT P10636 3/20 0.64
THRB P10828 1/20 0.64
PKM P14618 2/20 0.61
TSHR P16473 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
POLB P06746 1/20 0.57
VCAM1 P19320 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 2/20 0.52
MAPK1 P28482 1/20 0.52
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
DNMT1 P26358 1/20 0.49
DNMT3A Q9Y6K1 1/20 0.49

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 0.90 ALDH1A1 (0.61) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL6678848 0.90 LMNA (0.67) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL7541541 0.90 ALDH1A1 (0.61) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL6680387 0.87 ALDH1A1 (0.61) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL6678286 0.86 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL6681330 0.86 ALDH1A1 (0.59) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL6675545 0.84 ALDH1A1 (0.58) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL7534865 0.84 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL7538266 0.83 ALDH1A1 (0.59) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL6674669 0.82 LMNA (0.67) ALDH1A1LMNAMEN1KMT2AHTT

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 1173/4885LMNA 2006/4885MEN1 2231/4885

“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.