SCHEMBL4407485

SCHEMBL4407485

N=C(N)Nc1cccc(CC(=O)NCCCCC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
ITGB3 P05106 5/20 0.55
ITGA2B P08514 5/20 0.55
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
SELP P16109 2/20 0.45
SELE P16581 2/20 0.45
TRPV1 Q8NER1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
EPHX1 P07099 1/20 0.44
SELL P14151 1/20 0.43
GLS O94925 1/20 0.43
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42

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
SCHEMBL23518466 0.91 ITGB3 (0.50) ATMITGB3ITGA2BLMNASELP
SCHEMBL7864280 0.81 ITGB3 (0.62) ITGB3ITGA2BLMNASELPSELE
SCHEMBL288541 0.81 ITGB3 (0.61) ITGB3ITGA2BLMNASELPSELE
SCHEMBL9827968 0.77 ATM (0.90) ATMLMNATSHRTRPV1SMN1; SMN2
SCHEMBL8407707 0.76 HDAC6 (0.61) TSHRSMN1; SMN2HPGDHDAC3HDAC4
SCHEMBL6349089 0.76 ATM (0.87) ATMLMNATSHRTRPV1HPGD
SCHEMBL5656019 0.76 ATM (0.87) ATMLMNATSHRTRPV1HPGD
SCHEMBL1065668 0.76 ATM (0.70) ATMLMNATSHRTRPV1SMN1; SMN2
SCHEMBL8407713 0.76 ITGB3 (0.54) ITGB3ITGA2BEPHX1HDAC3HDAC4
SCHEMBL10587170 0.75 TRPV1 (0.67) ATMTRPV1SMN1; SMN2HPGDGAA

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-7629319-B2 Heteroaryl peptidomimetics as thrombin receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-08 US disclosed
US-7618945-B2 Heteroaryl peptidomimetics as thrombin receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2009-11-17 US disclosed
US-20060009396-A1 Novel heteroaryl peptidomimetics as thrombin receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-12 US disclosed
EP-1578786-A2 HETEROARYL PEPTIDOMIMETICS AS THROMBIN RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-09-28 EP disclosed
WO-2004060913-A2 HETEROARYL PEPTIDOMIMETICS AS THROMBIN RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-07-22 WO disclosed
US-20040138141-A1 Novel heteroaryl peptidomimetics as thrombin receptor antagonists JANSSEN PHARMACEUTICA, NV (BE) 2004-07-15 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 (2 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-20060009396-A1 Novel heteroaryl peptidomimetics as thrombin receptor antagonists PTAFR, F2R, F2RL1 ATM 1705/4885ITGB3 481/4885ITGA2B 932/4885
US-20040138141-A1 Novel heteroaryl peptidomimetics as thrombin receptor antagonists PTAFR, F2R, F2RL1 ATM 1705/4885ITGB3 481/4885ITGA2B 932/4885

“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.