SCHEMBL9892685

SCHEMBL9892685

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.40
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
LMNA P02545 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KMT2A Q03164 8/20 0.35
MEN1 O00255 7/20 0.35
MAPK1 P28482 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX5 P09917 1/20 0.34
MAPT P10636 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL15578481 0.90 TYR (0.42) TYRRAB9ANPC1LMNARXFP1
SCHEMBL10194576 0.87 TYR (0.47) TYRRAB9ANPC1LMNARXFP1
SCHEMBL9892687 0.87 TYR (0.40) TYRRAB9ANPC1LMNAKMT2A
SCHEMBL12732039 0.85 TYR (0.38) TYRRAB9ANPC1LMNARXFP1
SCHEMBL9892684 0.85 ALDH1A1 (0.46) TYRLMNAKMT2AMEN1MAPK1
SCHEMBL12863750 0.85 TYR (0.38) TYRRAB9ANPC1LMNARXFP1
SCHEMBL7906417 0.79 KCNQ1 (0.37) TYRRAB9ALMNAKMT2AMEN1
SCHEMBL15578482 0.78 TYR (0.43) TYRRAB9ANPC1LMNAKMT2A
SCHEMBL15578479 0.77 TYR (0.42) TYRRAB9ANPC1LMNAKMT2A
SCHEMBL8146846 0.77 TYR (0.42) TYRRAB9ANPC1KMT2AMEN1

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 TYR 1100/4885RAB9A 236/4885NPC1 178/4885

“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.