SCHEMBL6681272

SCHEMBL6681272

CN(C)c1ccc(NS(=O)(=O)c2ccc(Br)c(C#N)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
ALDH1A1 P00352 4/20 0.55
LMNA P02545 4/20 0.55
TDP1 Q9NUW8 3/20 0.55
GFER P55789 2/20 0.55
MAPK1 P28482 1/20 0.55
MCL1 Q07820 1/20 0.55
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HTT P42858 1/20 0.43
SCN9A Q15858 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
KDM1A O60341 1/20 0.40
GAA P10253 1/20 0.40
NPY5R Q15761 2/20 0.40
BRD1 O95696 1/20 0.40
BRPF1 P55201 1/20 0.40
BRPF3 Q9ULD4 1/20 0.40
IKBKB O14920 1/20 0.39

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
SCHEMBL6678633 0.85 ALDH1A1 (0.60) MAPTALDH1A1LMNATDP1GFER
SCHEMBL6675727 0.85 ALDH1A1 (0.57) MAPTALDH1A1LMNATDP1GFER
SCHEMBL6677124 0.82 MAPT (0.61) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL7537206 0.80 MAPT (0.53) MAPTALDH1A1LMNATDP1GFER
SCHEMBL6674394 0.79 SLC22A12 (0.49) MAPTALDH1A1LMNATDP1GFER
SCHEMBL6675313 0.78 LMNA (0.67) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL6674707 0.77 ALDH1A1 (0.55) MAPTALDH1A1LMNATDP1GFER
SCHEMBL6673845 0.77 MEN1 (0.58) MAPTALDH1A1LMNATDP1GFER
SCHEMBL4884368 0.76 TDP1 (0.65) MAPTALDH1A1LMNATDP1GFER
SCHEMBL2832955 0.76 MAPT (0.73) MAPTALDH1A1LMNATDP1GFER

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 MAPT 2283/4885ALDH1A1 1173/4885LMNA 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.