SCHEMBL6679999

SCHEMBL6679999

CN(C)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 9/20 0.60
ALDH1A1 P00352 5/20 0.60
TDP1 Q9NUW8 3/20 0.60
MAPT P10636 3/20 0.59
LMNA P02545 3/20 0.59
HTT P42858 2/20 0.55
MAPK1 P28482 1/20 0.55
GFER P55789 1/20 0.55
MCL1 Q07820 1/20 0.55
DNMT1 P26358 1/20 0.54
DNMT3A Q9Y6K1 1/20 0.54
POLB P06746 1/20 0.54
HSPD1 P10809 2/20 0.53
PTPN2 P17706 2/20 0.53
PTPN1 P18031 2/20 0.53
PTPN5 P54829 2/20 0.53
HSPE1 P61604 2/20 0.53
SLC25A1 P53007 1/20 0.51
HPGD P15428 1/20 0.50

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
SCHEMBL5228187 0.85 VCAM1 (0.64) VCAM1MAPTLMNAHTTMAPK1
SCHEMBL6674707 0.85 ALDH1A1 (0.55) ALDH1A1TDP1MAPTLMNAHTT
SCHEMBL6680377 0.85 ALDH1A1 (0.58) VCAM1ALDH1A1TDP1MAPTLMNA
SCHEMBL14018760 0.84 ALDH1A1 (0.70) ALDH1A1TDP1MAPTLMNAHTT
SCHEMBL810667 0.83 MAPT (0.64) VCAM1ALDH1A1MAPTLMNAHTT
SCHEMBL6679980 0.82 ALDH1A1 (0.55) ALDH1A1TDP1MAPTLMNAMAPK1
SCHEMBL7542108 0.82 VCAM1 (0.64) VCAM1ALDH1A1HPGD
SCHEMBL5225915 0.82 VCAM1 (0.64) VCAM1ALDH1A1MAPTLMNAHTT
SCHEMBL3619380 0.82 SLC25A1 (0.67) VCAM1ALDH1A1TDP1MAPTLMNA
SCHEMBL6677229 0.82 VCAM1 (0.60) VCAM1ALDH1A1TDP1MAPTLMNA

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 VCAM1 51/4885ALDH1A1 1173/4885TDP1 1692/4885

“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.