SCHEMBL9890971

SCHEMBL9890971

Cc1ccc2c(S(=O)(=O)c3ccccc3)cc(-c3cnc(-c4ccccc4)n3C)nc2c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
AURKA O14965 4/20 0.36
ALDH1A1 P00352 7/20 0.35
NPSR1 Q6W5P4 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 4/20 0.34
PKM P14618 3/20 0.34
HPGD P15428 2/20 0.34
HTR6 P50406 1/20 0.34
COMT P21964 1/20 0.34
USP2 O75604 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2C9 P11712 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
SCHEMBL9890970 0.90 ALDH1A1 (0.35) AURKAALDH1A1NPSR1SMN1; SMN2L3MBTL1
SCHEMBL7906965 0.89 KDM4E (0.39) HPGDSPDE3BPDE3AAURKAALDH1A1
SCHEMBL7909713 0.79 HTR6 (0.37) AURKAALDH1A1NPSR1KDM4EPKM
SCHEMBL9890972 0.79 HTR6 (0.35) ALDH1A1SMN1; SMN2L3MBTL1KDM4EPKM
SCHEMBL15428931 0.78 NPY5R (0.38) HPGDSAURKAALDH1A1NPSR1SMN1; SMN2
SCHEMBL9890975 0.78 ALDH1A1 (0.43) AURKAALDH1A1NPSR1SMN1; SMN2LMNA
SCHEMBL15428930 0.78 COMT (0.34) ALDH1A1NPSR1SMN1; SMN2L3MBTL1LMNA
SCHEMBL15428932 0.78 ADORA2A (0.36) ALDH1A1L3MBTL1KDM4EPKMCOMT
SCHEMBL15428933 0.77 COMT (0.38) AURKAALDH1A1NPSR1SMN1; SMN2LMNA
SCHEMBL9890976 0.76 MAPT (0.35) ALDH1A1NPSR1SMN1; SMN2L3MBTL1LMNA

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 HPGDS 2381/4885PDE3B 1387/4885PDE3A 2178/4885

“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.