SCHEMBL9890981

SCHEMBL9890981

Cc1ccc2c(O)cc(-c3csc(NC(=O)C(C)C)n3)nc2c1Br

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.54
LMNA P02545 1/20 0.44
XIAP P98170 1/20 0.42
MRE11 P49959 9/20 0.40
OPRK1 P41145 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL13556405 0.89 XIAP (0.48) TYRLMNAXIAPMRE11OPRK1
SCHEMBL3429639 0.87 TYR (0.46) TYRLMNAXIAPMRE11OPRK1
SCHEMBL10266220 0.87 TYR (0.51) TYRLMNAMRE11MEN1KMT2A
SCHEMBL3429515 0.86 TYR (0.45) TYRLMNAXIAPOPRK1ATM
SCHEMBL9890985 0.85 TYR (0.50) TYRLMNAXIAPATMMEN1
SCHEMBL9890978 0.82 TYR (0.42) TYRLMNAMRE11OPRK1ATM
SCHEMBL9890980 0.82 KCNQ1 (0.42) TYRLMNAXIAPMRE11OPRK1
SCHEMBL22110048 0.81 ALDH1A1 (0.47) TYRLMNAXIAPMEN1KMT2A
SCHEMBL7921060 0.79 TYR (0.51) TYRLMNAMRE11MEN1NPC1
SCHEMBL10266218 0.78 ALDH1A1 (0.48) TYRLMNAMEN1NPC1RAB9A

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 1100/4885LMNA 2710/4885XIAP 4029/4885

“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.