SCHEMBL9890970

SCHEMBL9890970

Cc1ccc2c(S(=O)(=O)c3ccccc3)cc(-c3cnc(C)n3C)nc2c1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 5/20 0.35
PKM P14618 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTR6 P50406 2/20 0.35
CDK2 P24941 4/20 0.35
COMT P21964 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AURKA O14965 3/20 0.33
TP53 P04637 1/20 0.33
CDK4 P11802 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9890971 0.90 HPGDS (0.38) ALDH1A1KDM4EPKMSMN1; SMN2HTR6
SCHEMBL7909713 0.88 HTR6 (0.37) ALDH1A1KDM4EPKMHTR6CDK2
SCHEMBL7906965 0.79 KDM4E (0.39) ALDH1A1KDM4EPKMSMN1; SMN2HTR6
SCHEMBL15428933 0.78 COMT (0.38) ALDH1A1KDM4EPKMSMN1; SMN2HTR6
SCHEMBL9890972 0.78 HTR6 (0.35) ALDH1A1KDM4EPKMSMN1; SMN2HTR6
SCHEMBL15428932 0.77 ADORA2A (0.36) ALDH1A1KDM4EPKMCOMTUSP2
SCHEMBL9890976 0.77 MAPT (0.35) ALDH1A1KDM4EPKMSMN1; SMN2HTR6
SCHEMBL15428930 0.77 COMT (0.34) ALDH1A1KDM4EPKMSMN1; SMN2HTR6
SCHEMBL9890975 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EPKMSMN1; SMN2COMT
SCHEMBL15428931 0.76 NPY5R (0.38) ALDH1A1KDM4EPKMSMN1; SMN2COMT

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 ALDH1A1 771/4885KDM4E 2420/4885PKM 1120/4885

“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.