SCHEMBL6501436

SCHEMBL6501436

CO[C@H]1[C@H](CNc2ncccn2)CCN1c1cccc(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 15/20 0.41
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6508080 0.89 ATM (0.43) GRIN2BALDH1A1
SCHEMBL6498399 0.78 KDM4E (0.52) GRIN2BKDM4EMEN1ALDH1A1GAA
SCHEMBL6497126 0.77 ATM (0.45) GRIN2BALDH1A1
SCHEMBL6497602 0.69 MEN1 (0.49) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL6499452 0.69 ALDH1A1 (0.43) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL6501440 0.68 ALDH1A1 (0.40) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL6501602 0.67 KDM4E (0.56) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL7464598 0.66 FFAR1 (0.44) GRIN2B
SCHEMBL6505225 0.65 KMT2A (0.43) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL6497606 0.64 KDM4E (0.54) KDM4EMEN1ALDH1A1GAAHPGD

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 GRIN2B 820/4885KDM4E 945/4885MEN1 1713/4885

“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.