SCHEMBL9892705

SCHEMBL9892705

COc1ccc2c(S)cc(-c3cncs3)nc2c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
PDE10A Q9Y233 5/20 0.37
BDKRB2 P30411 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
MAPT P10636 2/20 0.34
NPC1 O15118 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
CD38 P28907 2/20 0.32
LRRK2 Q5S007 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
SCHEMBL10046382 0.86 PDE10A (0.37) CYP19A1CYP11B1CYP11B2PDE10ABDKRB2
SCHEMBL7909715 0.77 HTR6 (0.39) CYP19A1CYP11B1CYP11B2PDE10APIK3CA
SCHEMBL9892707 0.77 CYP19A1 (0.39) CYP19A1CYP11B1CYP11B2PDE10AMAPT
SCHEMBL10046375 0.74 PLAU (0.42) CYP19A1CYP11B1CYP11B2PIK3CDPIK3CA
SCHEMBL10046379 0.74 TRIM33 (0.39) CYP19A1CYP11B1CYP11B2MAPTNPC1
SCHEMBL9892685 0.73 TYR (0.40) MAPTNPC1KDM4ELMNARAB9A
SCHEMBL9892684 0.69 ALDH1A1 (0.46) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL26260088 0.68 HIF1A (0.41) PDE10APIK3CDPIK3CAPIK3CGMAPT
SCHEMBL27945885 0.67 PIK3CD (0.43) PDE10APIK3CDPIK3CAPIK3CGMAPT
SCHEMBL10046378 0.65 TDO2 (0.39) PDE10AMAPTNPC1KDM4ELMNA

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 CYP19A1 556/4885CYP11B1 296/4885CYP11B2 442/4885

“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.