SCHEMBL1390974

SCHEMBL1390974

CCOc1ccc(COc2ccc3nc(C(C)NC(C)=O)oc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.52
ACACB O00763 10/20 0.49
PPARD Q03181 3/20 0.49
PPARA Q07869 3/20 0.49
NPC1 O15118 1/20 0.46
ACACA Q13085 4/20 0.44
APP P05067 2/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL1391059 0.95 TP53 (0.53) TP53ACACBPPARDPPARANPC1
SCHEMBL1391005 0.92 ACACB (0.49) TP53ACACBPPARDPPARANPC1
SCHEMBL12432312 0.92 PPARD (0.47) TP53ACACBPPARDPPARAACACA
SCHEMBL1391382 0.89 ACACB (0.50) TP53ACACBPPARDPPARANPC1
SCHEMBL1391350 0.82 MAOA (0.51) ACACBPPARDPPARANPC1ACACA
SCHEMBL12433347 0.81 PPARD (0.47) ACACBPPARDPPARANPC1ACACA
SCHEMBL1390797 0.80 NPC1 (0.52) TP53ACACBPPARDPPARANPC1
SCHEMBL1390871 0.80 NPC1 (0.48) ACACBPPARDPPARANPC1ACACA
SCHEMBL1390894 0.78 MAPT (0.46) TP53ACACBACACAMAPT
SCHEMBL1390737 0.78 ACACB (0.47) ACACBPPARDPPARANPC1ACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB TP53 2273/4885ACACB 3/4885PPARD 890/4885

“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.