SCHEMBL6499452

SCHEMBL6499452

CO[C@@H]1CCN(c2cccc(C(=O)O)c2)C[C@H]1Nc1ncccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMO O15229 1/20 0.41
PPARA Q07869 8/20 0.41
PPARD Q03181 5/20 0.41
TTR P02766 1/20 0.39
ENPP2 Q13822 5/20 0.39
PPARG P37231 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
OPRK1 P41145 1/20 0.38
NOTUM Q6P988 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 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
SCHEMBL6499159 0.88 ATM (0.43) ALDH1A1KDM4EHSD17B10OPRK1
SCHEMBL6498292 0.85 MEN1 (0.47) ALDH1A1HPGDKDM4EMEN1GAA
SCHEMBL6501602 0.79 KDM4E (0.56) ALDH1A1HPGDKDM4EMEN1GAA
SCHEMBL7469405 0.79 KMT2A (0.37) ALDH1A1KDM4EKMT2A
SCHEMBL6497606 0.78 KDM4E (0.54) ALDH1A1HPGDKDM4EMEN1GAA
SCHEMBL6498986 0.78 KDM4E (0.54) ALDH1A1HPGDKDM4EMEN1GAA
SCHEMBL6509189 0.76 KMT2A (0.34) ALDH1A1HPGDKDM4EKMT2AHSD17B10
SCHEMBL2854884 0.76 KMT2A (0.51) ALDH1A1HPGDKDM4EMEN1GAA
SCHEMBL2854886 0.76 KMT2A (0.51) ALDH1A1HPGDKDM4EMEN1GAA
SCHEMBL2848474 0.73 CPB1 (0.45) ALDH1A1HPGDKDM4EMEN1GAA

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 ALDH1A1 1967/4885HPGD 4069/4885KDM4E 945/4885

“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.