SCHEMBL242675

SCHEMBL242675

N=C(N)Nc1cccc(C(=O)NCC(=O)NCC(C(=O)O)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.45
ITGA5 P08648 2/20 0.45
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GPR139 Q6DWJ6 9/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
MDM4 O15151 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
CASR P41180 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41

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
SCHEMBL244262 0.90 ITGB1 (0.44) ITGB1ITGA5HTTL3MBTL1GPR139
SCHEMBL19426694 0.86 CASR (0.57) ITGB1ITGA5HTTL3MBTL1NPC1
SCHEMBL27501985 0.83 ITGB1 (0.44) ITGB1ITGA5HTTL3MBTL1GPR139
SCHEMBL19426715 0.83 ITGB1 (0.53) ITGB1ITGA5HTTL3MBTL1GPR139
SCHEMBL19426623 0.81 ITGB1 (0.47) ITGB1ITGA5HTTL3MBTL1MEN1
SCHEMBL20999272 0.81 ITGB1 (0.47) ITGB1ITGA5HTTL3MBTL1MEN1
SCHEMBL20999541 0.81 ITGB1 (0.54) ITGB1ITGA5HTTL3MBTL1GPR139
SCHEMBL242674 0.80 ITGB3 (0.55) ITGB1ITGA5GPR139MEN1KMT2A
SCHEMBL7339143 0.79 RXFP1 (0.48) HTTL3MBTL1ALDH1A1NPC1MEN1
SCHEMBL7340904 0.79 F10 (0.46) HTTL3MBTL1ALDH1A1NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN claimed
US-20120003229-A1 MODULATORS OF CYTOKINE MEDIATED SIGNALLING PATHWAYS AND INTEGRIN ALPHAVBETA3 RECEPTOR ANTAGONISTS FOR COMBINATION THERAPY GENESTE HERVE (DE) 2012-01-05 US disclosed
US-20090311266-A1 Inhibitors of the endothelin signalling pathway and alphavbeta3 integrin receptor antagonists for combination therapy BASF AKTIENGESELLSCHAFT (DE) 2009-12-17 US disclosed
EP-1239877-B1 COMPOSITION COMPRISING A TNF-ALPHA INHIBITOR AND AN INTEGRIN ALPHAVBETA3 RECEPTOR ANTAGONIST ABBOTT GMBH & CO KG (DE) 2008-01-09 EP disclosed
US-20060159678-A1 Modulators of cytokine mediated signaling pathways and integrin alphabeta3 receptor antagonists for combination therapy GENESTE HERVE 2006-07-20 US disclosed
EP-1227847-A2 INHIBITORS OF THE ENDOTHELIN SIGNALLING PATHWAY AND ALPHAVBETA3 INTEGRIN RECEPTOR ANTAGONISTS FOR COMBINATION THERAPY BASF AKTIENGESELLSCHAFT (DE) 2002-08-07 EP disclosed
WO-2001024827-A2 INHIBITORS OF THE ENDOTHELIN SIGNALLING PATHWAY AND αVβ3 INTEGRIN RECEPTOR ANTAGONISTS FOR COMBINATION THERAPY BASF AKTIENGESELLSCHAFT (DE) 2001-04-12 WO 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 (3 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-20060159678-A1 Modulators of cytokine mediated signaling pathways and integrin alphabeta3 receptor antagonists for combination therapy ITGB3, IL6ST, IL1RN ITGB1 4/4885ITGA5 22/4885HTT 4560/4885
US-20090311266-A1 Inhibitors of the endothelin signalling pathway and alphavbeta3 integrin receptor antagonists for combination therapy EDNRB, EDNRA, ITGB3 ITGB1 8/4885ITGA5 15/4885HTT 4405/4885
US-20120003229-A1 MODULATORS OF CYTOKINE MEDIATED SIGNALLING PATHWAYS AND INTEGRIN ALPHAVBETA3 RECEPTOR ANTAGONISTS FOR COMBINATION THERAPY ITGB3, ITGAV, ITGB1 ITGB1 3/4885ITGA5 20/4885HTT 4428/4885

“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.