SCHEMBL9890972

SCHEMBL9890972

Cc1ccc2c(S(=O)(=O)c3ccccc3)cc(-c3ccn(C)c3)nc2c1Br

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.35
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
COMT P21964 1/20 0.35
HTT P42858 2/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CREBBP Q92793 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL7900338 0.87 HTR6 (0.38) HTR6KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL15428930 0.82 COMT (0.34) HTR6KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL15428932 0.80 ADORA2A (0.36) KDM4EALDH1A1PKMCOMTHTT
SCHEMBL9890971 0.79 HPGDS (0.38) HTR6KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL9890970 0.78 ALDH1A1 (0.35) HTR6KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL9890976 0.76 MAPT (0.35) HTR6KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL15428933 0.75 COMT (0.38) HTR6KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL9890975 0.75 ALDH1A1 (0.43) KDM4EALDH1A1PKMSMN1; SMN2COMT
SCHEMBL15428931 0.75 NPY5R (0.38) KDM4EALDH1A1PKMSMN1; SMN2COMT
SCHEMBL10015189 0.70 BRD4 (0.39) ALDH1A1CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142929-A1 PROCESS FOR PREPARING SULFONYL QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US 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-20120142929-A1 PROCESS FOR PREPARING SULFONYL QUINOLINES GYS2, CYP3A7, GBA1 HTR6 3987/4885KDM4E 2420/4885ALDH1A1 771/4885

“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.