SCHEMBL5022786

SCHEMBL5022786

Cn1nc(-c2ccc(Cl)cc2)cc1COc1ccc2ccn(CC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 13/20 0.43
BCL2 P10415 3/20 0.38
FPR2 P25090 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL5016786 0.89 MCL1 (0.51) MCL1BCL2POLBMAPT
SCHEMBL5026984 0.82 MCL1 (0.41) MCL1BCL2FPR2
SCHEMBL5025660 0.81 MCL1 (0.46) MCL1BCL2POLBMAPT
SCHEMBL5026985 0.80 PPARD (0.43) MCL1HDAC6
SCHEMBL5016769 0.80 PPARD (0.44) MCL1FPR2
SCHEMBL5027024 0.80 TRPV1 (0.43) MCL1POLBMAPT
SCHEMBL5023828 0.80 MCL1 (0.46) MCL1BCL2
SCHEMBL5016882 0.79 PPARD (0.45) MCL1
SCHEMBL5023230 0.79 PPARD (0.55) MCL1
SCHEMBL5016818 0.78 PPARD (0.41) MAPTHDAC6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG MCL1 2737/4885BCL2 2207/4885FPR2 1471/4885

“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.