SCHEMBL6505215

SCHEMBL6505215

O=C(O)c1cccc(N2CC[C@@H](CNc3ncccn3)[C@@H]2O)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 11/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
KMO O15229 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL6497126 0.86 ATM (0.45) GRIN2BALDH1A1SMN1; SMN2
SCHEMBL6501436 0.85 GRIN2B (0.41) GRIN2BMEN1KMT2AALDH1A1HPGD
SCHEMBL6498399 0.81 KDM4E (0.52) GRIN2BMEN1KMT2AALDH1A1HPGD
SCHEMBL7470189 0.78 GRIN2B (0.36) GRIN2BALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL6508080 0.74 ATM (0.43) GRIN2BALDH1A1SMN1; SMN2
SCHEMBL6498054 0.74 RAB9A (0.34) GRIN2BMEN1KMT2AALDH1A1KDM4E
SCHEMBL6497602 0.72 MEN1 (0.49) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL6501602 0.70 KDM4E (0.56) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL7464598 0.68 FFAR1 (0.44) GRIN2BCYP2D6
SCHEMBL6498292 0.68 MEN1 (0.47) MEN1KMT2AALDH1A1HPGDKDM4E

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 820/4885MEN1 1713/4885KMT2A 1917/4885

“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.