SCHEMBL4387733

SCHEMBL4387733

CCC1C(=O)NCCN1C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
GLA P06280 1/20 0.50
ALDH1A1 P00352 1/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
HTR2C P28335 1/20 0.47
PARP1 P09874 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
ELANE P08246 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.45
PREP P48147 1/20 0.45

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
SCHEMBL28899278 1.00 KMT2A (0.55) KMT2AGLAALDH1A1PSEN1PSEN2
SCHEMBL12189896 1.00 KMT2A (0.55) KMT2AGLAALDH1A1PSEN1PSEN2
SCHEMBL4389072 0.91 KMT2A (0.53) KMT2AGLAALDH1A1PSEN1PSEN2
SCHEMBL4392704 0.89 PSEN1 (0.58) KMT2AGLAALDH1A1PSEN1PSEN2
SCHEMBL4385603 0.89 KMT2A (0.52) KMT2AGLAALDH1A1PSEN1PSEN2
SCHEMBL4315505 0.89 KMT2A (0.52) KMT2AGLAALDH1A1PSEN1PSEN2
SCHEMBL4064197 0.88 KMT2A (0.53) KMT2AGLAALDH1A1PSEN1PSEN2
SCHEMBL4064196 0.88 KMT2A (0.53) KMT2AGLAALDH1A1PSEN1PSEN2
SCHEMBL7325969 0.88 ALDH1A1 (0.65) KMT2AGLAALDH1A1KDM4ERAB9A
SCHEMBL28433612 0.88 KMT2A (0.51) KMT2AGLAALDH1A1PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107174584-B Application of piperazine structure-containing compound in preparation of LSD1 inhibitor 福建金乐医药科技有限公司 2020-09-01 CN disclosed
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 KMT2A 2513/4885GLA 174/4885ALDH1A1 3776/4885

“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.