SCHEMBL6813074

SCHEMBL6813074

Cc1nc(-c2cccc(NC(=O)C(Nc3ccc(-n4ncccc4=O)cc3)c3ccccc3)c2)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.45
MAPT P10636 8/20 0.44
POLB P06746 4/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
F10 P00742 1/20 0.38
THRB P10828 1/20 0.37
HAVCR2 Q8TDQ0 1/20 0.37
RAF1 P04049 1/20 0.37

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
SCHEMBL6812265 0.88 TP53 (0.47) TP53MAPTPOLBKDM4EALDH1A1
SCHEMBL6802821 0.82 TP53 (0.44) TP53MAPTPOLBKDM4EALDH1A1
SCHEMBL6808414 0.81 F10 (0.61) TP53MAPTPOLBKDM4EALDH1A1
SCHEMBL6812129 0.80 F10 (0.49) TP53MAPTPOLBKDM4EALDH1A1
SCHEMBL6804735 0.79 F10 (0.59) MAPTPOLBKDM4EALDH1A1MEN1
SCHEMBL5164490 0.76 L3MBTL1 (0.52) TP53MAPTPOLBL3MBTL1LMNA
SCHEMBL6806790 0.75 TP53 (0.46) TP53MAPTPOLBKDM4EALDH1A1
SCHEMBL6807561 0.69 TP53 (0.63) TP53MAPTPOLBALDH1A1MEN1
SCHEMBL6809066 0.68 TP53 (0.52) TP53MAPTPOLBALDH1A1MEN1
SCHEMBL13273862 0.67 MAPT (0.63) TP53MAPTPOLBL3MBTL1LMNA

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 TP53 1748/4885MAPT 4839/4885POLB 3408/4885

“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.