SCHEMBL244262

SCHEMBL244262

N=C(N)Nc1cccc(C(=O)NCC(=O)NCC(C(=O)O)c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.44
ITGA5 P08648 1/20 0.44
GPR139 Q6DWJ6 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
F10 P00742 2/20 0.38
PRSS1 P07477 1/20 0.38
SLC6A9 P48067 2/20 0.38
SLC6A5 Q9Y345 2/20 0.38
CASR P41180 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
BACE1 P56817 1/20 0.38
KCNK3 O14649 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
SCHEMBL242675 0.90 ITGB1 (0.45) ITGB1ITGA5GPR139MEN1KMT2A
SCHEMBL19426694 0.82 CASR (0.57) ITGB1ITGA5MEN1KMT2AHTT
SCHEMBL244261 0.82 ITGB3 (0.50) ITGB1ITGA5GPR139MEN1KMT2A
SCHEMBL19426715 0.80 ITGB1 (0.53) ITGB1ITGA5GPR139LMNAHTT
SCHEMBL23455386 0.79 ITGB1 (0.64) ITGB1ITGA5LMNAMAPTSMN1; SMN2
SCHEMBL23489275 0.79 ITGB1 (0.64) ITGB1ITGA5LMNAMAPTSMN1; SMN2
SCHEMBL13082869 0.79 GPR139 (0.43) ITGB1ITGA5GPR139MEN1KMT2A
SCHEMBL19426623 0.78 ITGB1 (0.47) ITGB1ITGA5MEN1KMT2ALMNA
SCHEMBL20999272 0.78 ITGB1 (0.47) ITGB1ITGA5MEN1KMT2ALMNA
SCHEMBL20999541 0.78 ITGB1 (0.54) ITGB1ITGA5GPR139MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 22/4885GPR139 558/4885
US-20090311266-A1 Inhibitors of the endothelin signalling pathway and alphavbeta3 integrin receptor antagonists for combination therapy EDNRB, EDNRA, ITGB3 ITGB1 8/4885ITGA5 15/4885GPR139 352/4885
US-20120003229-A1 MODULATORS OF CYTOKINE MEDIATED SIGNALLING PATHWAYS AND INTEGRIN ALPHAVBETA3 RECEPTOR ANTAGONISTS FOR COMBINATION THERAPY ITGB3, ITGAV, ITGB1 ITGB1 3/4885ITGA5 20/4885GPR139 579/4885

“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.