SCHEMBL7036058

SCHEMBL7036058

O=C(Nc1cccc2ccccc12)N[C@@H](CNC(=O)c1ccc(OCCNc2ncccn2)cc1O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.39
ITGB1 P05556 5/20 0.38
ITGA5 P08648 5/20 0.38
MAPT P10636 2/20 0.38
ANPEP P15144 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.36
KDM4E B2RXH2 3/20 0.36
TRPV1 Q8NER1 1/20 0.36
GSK3B P49841 1/20 0.36
ITGB3 P05106 2/20 0.36
ITGAV P06756 2/20 0.36
CASP3 P42574 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 1/20 0.36
HTT P42858 1/20 0.35
EPHX1 P07099 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7037756 0.89 KDM4E (0.38) MEN1KMT2AALDH1A1ITGB1ITGA5
SCHEMBL7032164 0.89 ITGB1 (0.44) MEN1KMT2AITGB1ITGA5ANPEP
SCHEMBL7034173 0.89 ITGB1 (0.39) MEN1KMT2AALDH1A1ITGB1ITGA5
SCHEMBL7032372 0.89 ITGB1 (0.41) MEN1KMT2AALDH1A1ITGB1ITGA5
SCHEMBL7036478 0.88 POLB (0.39) MEN1KMT2AALDH1A1ITGB1ITGA5
SCHEMBL7032406 0.88 ITGB1 (0.42) MEN1KMT2AITGB1ITGA5ITGB3
SCHEMBL7030523 0.88 ALDH1A1 (0.43) MEN1KMT2AALDH1A1MAPTANPEP
SCHEMBL7036653 0.87 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTANPEP
SCHEMBL7032453 0.86 ITGB3 (0.52) MEN1KMT2AITGB3ITGAV
SCHEMBL7034074 0.85 ITGB1 (0.43) ALDH1A1ITGB1ITGA5ITGB3ITGAV

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-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2003-10-02 US claimed
US-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2003-10-02 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-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors ASGR1, TEK, APLNR MEN1 1162/4885KMT2A 3514/4885ALDH1A1 2356/4885

“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.