SCHEMBL8305501

SCHEMBL8305501

Cc1ccc(N2CCCC2=O)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
TP53 P04637 2/20 0.48
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 2/20 0.42
AKR1C3 P42330 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
METAP2 P50579 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SRD5A1 P18405 2/20 0.39

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
SCHEMBL8305486 0.95 HSD17B10 (0.45) HSD17B10TP53KMT2AMEN1ALDH1A1
SCHEMBL19002852 0.87 HSD17B10 (0.50) HSD17B10TP53KMT2AMEN1ALDH1A1
SCHEMBL24719734 0.84 HSD17B10 (0.46) HSD17B10KMT2AMEN1ALDH1A1AKR1C3
SCHEMBL2193401 0.83 KMT2A (0.47) HSD17B10KMT2AMEN1ALDH1A1HTT
SCHEMBL2760313 0.83 HSD17B10 (0.57) HSD17B10TP53KMT2AMEN1ALDH1A1
SCHEMBL78187 0.82 ALDH1A1 (0.57) HSD17B10KMT2AMEN1ALDH1A1HTT
SCHEMBL30168172 0.82 ALDH1A1 (0.57) HSD17B10KMT2AMEN1ALDH1A1HTT
SCHEMBL8306091 0.81 HSD17B10 (0.50) HSD17B10TP53KMT2AMEN1ALDH1A1
SCHEMBL22864649 0.81 HSD17B10 (0.54) HSD17B10TP53KMT2AMEN1ALDH1A1
SCHEMBL4403434 0.80 TP53 (0.51) HSD17B10TP53KMT2AMEN1ALDH1A1

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-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20080081814-A1 Carbonyl Compounds Which Can be Used as Inhibitors of Coagulation Factor Xa CEZANNE BERTRAM 2008-04-03 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
US-20070265259-A1 Proline Derivatives MERCK PATENT GMBH (DE) 2007-11-15 US disclosed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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 (4 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-20070265259-A1 Proline Derivatives F2, XPNPEP1, PRAP1 HSD17B10 2651/4885TP53 452/4885KMT2A 3173/4885
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD HSD17B10 3381/4885TP53 3270/4885KMT2A 1997/4885
US-20080081814-A1 Carbonyl Compounds Which Can be Used as Inhibitors of Coagulation Factor Xa F2, F11, F12 HSD17B10 1254/4885TP53 1461/4885KMT2A 2089/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB HSD17B10 1922/4885TP53 1525/4885KMT2A 3212/4885

“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.