SCHEMBL6028622

SCHEMBL6028622

CCOC(=O)Cn1ccc2cc(N(C)C(=O)OC(C)(C)C)ccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.36
ATM Q13315 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
BRD4 O60885 1/20 0.36
LMNA P02545 1/20 0.36
PAX8 Q06710 1/20 0.35
PLA2G4A P47712 4/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
TNF P01375 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KRAS P01116 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
SCHEMBL6028624 0.78 ROCK2 (0.43) ROCK2ATMMAOAMAOBBRD4
SCHEMBL6029904 0.77 MAOA (0.43) ROCK2ATMMAOAMAOB
SCHEMBL14884760 0.75 ATM (0.49) ROCK2ATMMAOAMAOBLMNA
SCHEMBL30396580 0.75 F2 (0.45) ATMLMNAALDH1A1TNF
SCHEMBL3689068 0.75 F2 (0.45) ATMLMNAALDH1A1TNF
SCHEMBL12775719 0.75 PLA2G4A (0.44) ATMPLA2G4AALDH1A1
SCHEMBL4483940 0.74 ATM (0.43) ATMLMNAALDH1A1TNFL3MBTL1
SCHEMBL4485443 0.74 NTSR1 (0.52) ATMLMNAALDH1A1KRAS
SCHEMBL1666483 0.74 NTSR1 (0.52) ATMMAOALMNAALDH1A1TNF
SCHEMBL20037274 0.74 ALDH1A1 (0.50) ATMALDH1A1TSHRTNFL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995263-B2 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-02-07 US disclosed
US-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 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-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG ROCK2 1903/4885ATM 3382/4885MAOA 2101/4885

“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.