SCHEMBL4393684

SCHEMBL4393684

N#Cc1ccc(CN2CCN(C(=O)OCc3ccccc3)CC2=O)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
ALOX15 P16050 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
PTGDR2 Q9Y5Y4 4/20 0.46
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
PGGT1B P53609 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
DPP4 P27487 2/20 0.40
CYP2C19 P33261 1/20 0.40
TMEM97 Q5BJF2 3/20 0.40

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
Hydrochloric Acid SCHEMBL4393681 0.99 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTALOX15
SCHEMBL27574321 0.85 DPP4 (0.41) FNTAFNTBDPP4HRH3
SCHEMBL4392312 0.84 FNTA (0.57) ALDH1A1MEN1KMT2AMAPTALOX15
SCHEMBL3902852 0.82 SMN1; SMN2 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1208730 0.78 SMN1; SMN2 (0.49) ALDH1A1MEN1KMT2AHPGDNPSR1
SCHEMBL4397191 0.78 DHFR (0.43) ALDH1A1MEN1KMT2AMAPTALOX15
SCHEMBL6411056 0.78 FAAH (0.53) ALDH1A1MEN1KMT2AALOX15PTGDR2
SCHEMBL4387744 0.77 F2 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4359832 0.77 KDM1A (0.52) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL29010221 0.76 CYP46A1 (0.54) MEN1KMT2ANPSR1KDM4EFNTA

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 9 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
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 ALDH1A1 3776/4885MEN1 1275/4885KMT2A 2513/4885

“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.