SCHEMBL5952598

SCHEMBL5952598

Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.64
LMNA P02545 2/20 0.61
SLC12A2 P55011 1/20 0.61
SLC12A5 Q9H2X9 1/20 0.61
CA12 O43570 2/20 0.59
CA9 Q16790 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
ATM Q13315 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
POLB P06746 1/20 0.59
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
ALDH1A1 P00352 4/20 0.57
HPGD P15428 1/20 0.57
CYP19A1 P11511 2/20 0.56
PKM P14618 3/20 0.55
VCAM1 P19320 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPK1 P28482 1/20 0.54

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
SCHEMBL28836851 0.86 PKM (0.65) KEAP1LMNASLC12A2SLC12A5CA12
SCHEMBL24254522 0.86 CA12 (0.63) KEAP1LMNASLC12A2SLC12A5CA12
SCHEMBL4319739 0.83 IDO1 (0.68) LMNAPOLBALDH1A1HPGDPKM
SCHEMBL5953406 0.83 VCAM1 (0.72) KEAP1LMNASLC12A2SLC12A5CA12
SCHEMBL151655 0.81 KEAP1 (0.76) KEAP1LMNASLC12A2SLC12A5CA12
SCHEMBL31339948 0.81 CYP19A1 (0.85) KEAP1LMNASLC12A2SLC12A5CA12
SCHEMBL5032445 0.81 CYP19A1 (0.85) KEAP1LMNASLC12A2SLC12A5CA12
SCHEMBL4482487 0.80 CYP19A1 (0.67) KEAP1LMNASLC12A2SLC12A5CA12
SCHEMBL4470901 0.80 CYP19A1 (0.62) KEAP1LMNASLC12A2SLC12A5CA12
Hydrochloric Acid SCHEMBL4486932 0.79 CYP19A1 (0.65) KEAP1LMNASLC12A2SLC12A5CA12

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (2 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 KEAP1 4297/4885LMNA 1504/4885SLC12A2 3244/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A KEAP1 4055/4885LMNA 1530/4885SLC12A2 3224/4885

“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.