SCHEMBL6497606

SCHEMBL6497606

O=C(O)c1cccc(N2CCC[C@H](Nc3ncccn3)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PPARA Q07869 15/20 0.53
PPARD Q03181 7/20 0.53
PPARG P37231 2/20 0.52
KMO O15229 1/20 0.45
CASR P41180 1/20 0.45
CCNK O75909 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 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
SCHEMBL6498986 1.00 KDM4E (0.54) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL7053339 0.87 CASR (0.54) KDM4EMEN1GAAKMT2APPARA
SCHEMBL7463214 0.87 CASR (0.54) KDM4EMEN1GAAKMT2APPARA
SCHEMBL6501602 0.86 KDM4E (0.56) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL7467132 0.84 CASR (0.51) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL7468836 0.82 EPHX2 (0.41) KDM4EMEN1GAAKMT2APPARA
SCHEMBL7469825 0.81 MEN1 (0.41) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL7462642 0.81 MEN1 (0.41) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL7051591 0.81 ITGB3 (0.46) KDM4EMEN1ALDH1A1GAAKMT2A
SCHEMBL7463196 0.81 PPARA (0.41) PPARAPPARDPPARGCASRCCNK

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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 KDM4E 945/4885MEN1 1713/4885ALDH1A1 1967/4885

“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.