SCHEMBL7796051

SCHEMBL7796051

CN(CC(=O)c1ccc(OCC(=O)OCc2ccccc2)cc1)C(=O)Cc1cccc(N)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
EGFR P00533 4/20 0.41
LTB4R Q15722 2/20 0.39
LTB4R2 Q9NPC1 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
PRMT5 O14744 1/20 0.38
ALOX5 P09917 1/20 0.38
MAOB P27338 1/20 0.38
AOC3 Q16853 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PLA2G4B P0C869 1/20 0.36

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
SCHEMBL7795621 0.86 LMNA (0.39) NPC1RAB9ASMN1; SMN2LTB4RLTB4R2
SCHEMBL7796049 0.81 MAPK1 (0.42) MAPK1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7588938 0.77 LMNA (0.38) NPC1RAB9ASMN1; SMN2EGFRKDM4E
SCHEMBL7592919 0.76 LMNA (0.37) NPC1RAB9ASMN1; SMN2EGFRLTB4R2
SCHEMBL7338350 0.75 RAB9A (0.48) MAPK1NPC1RAB9ASMN1; SMN2EGFR
SCHEMBL7795113 0.74 ITGB3 (0.55) LTB4RLTB4R2POLBL3MBTL1
SCHEMBL7796029 0.73 NPC1 (0.39) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL7796040 0.72 ITGB3 (0.40) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL2008979 0.72 MAPK1 (0.56) MAPK1NPC1RAB9ASMN1; SMN2EGFR
SCHEMBL8009012 0.71 RAB9A (0.56) MAPK1NPC1RAB9ASMN1; SMN2EGFR

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
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US disclosed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 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 (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-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL MAPK1 665/4885NPC1 792/4885RAB9A 2305/4885

“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.