SCHEMBL7052907

SCHEMBL7052907

O=C(CCNC(=O)c1ccc(N2CCC[C@H](Nc3ncccn3)C2)cc1)ONC(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.40
ITGAV P06756 2/20 0.40
ITGA2B P08514 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CASR P41180 4/20 0.38
GAA P10253 1/20 0.37
CCR2 P41597 1/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37

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
SCHEMBL382409 0.91 KDM4E (0.40) ITGB3ITGAVMEN1KMT2AKDM4E
SCHEMBL7476304 0.90 KDM4E (0.44) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL7471269 0.88 MEN1 (0.37) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL7049509 0.84 ITGB3 (0.42) ITGB3ITGAVITGA2BKDM4EHTT
SCHEMBL7468320 0.83 ITGB3 (0.43) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL7470398 0.83 ITGB3 (0.51) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL7048411 0.83 ITGB3 (0.51) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL7467073 0.82 VCP (0.41) ITGB3ITGAVMEN1KMT2AKDM4E
SCHEMBL7655291 0.82 KDM4E (0.53) KDM4EHTTALDH1A1RAB9ASMN1; SMN2
SCHEMBL382568 0.81 ITGB3 (0.43) ITGB3ITGAVITGA2BRAB9ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP claimed
US-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist MEIJI SEIKA KAISHA, LTD. (JP) 2003-02-27 US disclosed
EP-1250935-A1 REMEDIES FOR REPERFUSION INJURY CONTAINING INTEGRIN ALPHAvBETA3 ANTAGONIST MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 EP disclosed
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 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-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist ITGB3, ITGAV, ITGB1 ITGB3 1/4885ITGAV 2/4885ITGA2B 7/4885

“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.