SCHEMBL6812129

SCHEMBL6812129

Cc1nc(-c2cccc(NC(=O)C(Nc3ccc(N4CCOCC4=O)cc3)c3ccccc3)c2)no1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.49
PTGS2 P35354 4/20 0.44
TP53 P04637 3/20 0.43
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
MAPT P10636 4/20 0.42
POLB P06746 1/20 0.42
MAPK14 Q16539 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6802821 0.89 TP53 (0.44) F10TP53RAF1BRAFMAPT
SCHEMBL6808414 0.88 F10 (0.61) F10TP53RAF1BRAFMAPT
SCHEMBL6812265 0.82 TP53 (0.47) F10TP53RAF1BRAFMAPT
SCHEMBL6813074 0.80 TP53 (0.45) F10TP53RAF1BRAFMAPT
SCHEMBL6808014 0.80 F10 (0.71) F10PTGS2MAPTPOLBKDM4E
SCHEMBL7140391 0.76 PTGS2 (0.43) F10PTGS2RAF1BRAFMAPK14
SCHEMBL5164490 0.76 L3MBTL1 (0.52) TP53MAPTPOLB
SCHEMBL6806790 0.73 TP53 (0.46) F10TP53MAPTPOLBKDM4E
SCHEMBL6807934 0.69 MAPT (0.46) TP53RAF1BRAFMAPTPOLB
SCHEMBL5445168 0.69 F10 (0.63) F10PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092517-A1 Phenyl derivatives and their use in the treatment of thromboembolic disorders or tumours MERCK PATENT GMBH (DE) 2004-05-13 US claimed
EP-1370522-A1 PHENYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISORDERS OR TUMOURS MERCK PATENT GmbH (DE) 2003-12-17 EP claimed
WO-2002070471-A1 PHENYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISORDERS OR TUMOURS MERCK PATENT GMBH (DE) 2002-09-12 WO claimed
US-20040092517-A1 Phenyl derivatives and their use in the treatment of thromboembolic disorders or tumours MERCK PATENT GMBH (DE) 2004-05-13 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-20040092517-A1 Phenyl derivatives and their use in the treatment of thromboembolic disorders or tumours RCOR3, F2, NCOR2 F10 64/4885PTGS2 380/4885TP53 1748/4885

“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.