SCHEMBL829673

SCHEMBL829673

Nc1ccc2[nH]c(=O)c(S(=O)(=O)c3cc4cc(N)ccc4[nH]c3=O)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.49
KEAP1 Q14145 1/20 0.49
PARP1 P09874 2/20 0.44
HRH4 Q9H3N8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ROCK2 O75116 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ROCK1 Q13464 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DAO P14920 3/20 0.37
MAPKAPK2 P49137 1/20 0.37
RPS6KA3 P51812 1/20 0.37

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
SCHEMBL830326 0.79 HRH4 (0.38) HRH4KDM4EALDH1A1GAAHPGD
SCHEMBL830973 0.79 CA2 (0.54) GAADAOCA2CA12CA9
SCHEMBL831042 0.79 DAO (0.60) PARP1KDM4EALDH1A1MAPTHPGD
SCHEMBL830009 0.79 DAO (0.60) PARP1KDM4EMEN1ALDH1A1MAPT
SCHEMBL830971 0.79 CYP19A1 (0.44) CYP2A6HRH4MEN1KMT2AROCK1
SCHEMBL829945 0.77 DAO (0.56) CYP2A6KDM4EALDH1A1MAPTHPGD
SCHEMBL830643 0.76 KDM4E (0.58) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL14721573 0.75 CYP2A6 (0.61) CYP2A6KEAP1PARP1HRH4L3MBTL1
SCHEMBL831440 0.74 GRIA1 (0.57) PARP1HRH4ALDH1A1MAPTDAO
SCHEMBL830151 0.74 GRIN2D (0.57) L3MBTL1KDM4EMEN1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232649-A1 Heteroaryl Sulfones and Sulfonamides and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-10-04 US claimed
EP-1765804-A2 HETEROARYL SULFONES AND SULFONAMIDES AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2007-03-28 EP claimed
WO-2005123077-A2 HETEROARYL SULFONES AND SULFONAMIDES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-12-29 WO claimed
US-8143428-B2 Heteroaryl sulfones and sulfonamides and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-03-27 US disclosed
EP-1765804-A2 HETEROARYL SULFONES AND SULFONAMIDES AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2007-03-28 EP disclosed
WO-2005123077-A2 HETEROARYL SULFONES AND SULFONAMIDES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-12-29 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-20070232649-A1 Heteroaryl Sulfones and Sulfonamides and Therapeutic Uses Thereof SULT1E1, STS, CCNE1 CYP2A6 1515/4885KEAP1 2999/4885PARP1 790/4885

“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.