SCHEMBL4387744

SCHEMBL4387744

N=C(N)c1ccc(CN2CCN(C(=O)OCc3ccccc3)CC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
PLG P00747 1/20 0.48
TPSAB1 Q15661 1/20 0.48
TPSD1 Q9BZJ3 1/20 0.48
TPSG1 Q9NRR2 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
CYP2C19 P33261 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3902852 0.89 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C19HRH3NPC1RAB9A
SCHEMBL1208730 0.84 SMN1; SMN2 (0.49) SMN1; SMN2CYP2C19HRH3NPC1RAB9A
SCHEMBL4359832 0.83 KDM1A (0.52) SMN1; SMN2HRH3NPC1RAB9AMEN1
SCHEMBL29010221 0.82 CYP46A1 (0.54) SMN1; SMN2CYP2C19HRH3NPC1RAB9A
SCHEMBL4392312 0.82 FNTA (0.57) SMN1; SMN2HRH3NPC1RAB9AMEN1
SCHEMBL6891931 0.81 CYP46A1 (0.56) SMN1; SMN2CYP2C19HRH3NPC1RAB9A
SCHEMBL7999929 0.81 HRH3 (0.52) F2PRSS1SMN1; SMN2HRH3ITGB3
SCHEMBL7999835 0.79 F10 (0.58) F2PRSS1PRSS2PRSS3HRH3
SCHEMBL12523823 0.78 P2RX7 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL8386105 0.78 KMT2A (0.52) SMN1; SMN2CYP2C19HRH3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
EP-1051176-B1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMA INC (US) 2006-11-22 EP disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
CN-1291892-A Substituted oxoazaheterocyclyl factor Xa inhibitors AWENTIS PHARMACEUTICAL INC (US) 2001-04-18 CN disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-2000032590-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-08 WO disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 F2 7/4885PRSS1 1218/4885PRSS2 1077/4885

“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.