SCHEMBL9892684

SCHEMBL9892684

COc1ccc2c(S)cc(-c3csc(NC(=O)C(C)C)n3)nc2c1Br

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 1/20 0.46
TYR P14679 1/20 0.45
CTSB P07858 1/20 0.43
PPP3CB P16298 1/20 0.43
KMT2A Q03164 10/20 0.43
MEN1 O00255 9/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
GPR65 Q8IYL9 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL10266218 0.91 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDTYRCTSB
SCHEMBL22110048 0.89 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDTYRCTSB
SCHEMBL10266220 0.89 TYR (0.51) ALDH1A1KDM4EHPGDTYRCTSB
SCHEMBL3478854 0.89 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDTYRCTSB
SCHEMBL11947493 0.89 CTSB (0.46) ALDH1A1KDM4EHPGDTYRCTSB
SCHEMBL9892685 0.85 TYR (0.40) ALDH1A1KDM4ETYRCTSBPPP3CB
SCHEMBL7898739 0.82 MAPT (0.45) ALDH1A1KDM4EHPGDTYRCTSB
SCHEMBL7907810 0.81 KCNQ1 (0.45) ALDH1A1KDM4EHPGDTYRCTSB
SCHEMBL7921060 0.78 TYR (0.51) ALDH1A1KDM4EHPGDTYRKMT2A
SCHEMBL15766260 0.77 TYR (0.46) ALDH1A1KDM4EHPGDTYRCTSB

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 2420/4885HPGD 2942/4885

“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.