SCHEMBL4588288

SCHEMBL4588288

O=C(NCC1CC(=O)N(c2ccc(N3CCCCC3=O)cc2)C1)c1ccc2cnccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 3/20 0.43
DGAT2 Q96PD7 1/20 0.42
PRMT5 O14744 1/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
F10 P00742 1/20 0.42
RECQL P46063 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 3/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
PRMT3 O60678 1/20 0.39
KDM2B Q8NHM5 1/20 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
SCHEMBL4586513 0.88 BCHE (0.50) HSD17B10ALDH1A1PRMT5LMNAMAPT
SCHEMBL5639667 0.87 HSD17B10 (0.46) HSD17B10ALDH1A1PRMT5LMNAMAPT
SCHEMBL5643671 0.87 HSD17B10 (0.42) HSD17B10ALDH1A1PRMT5LMNAMAPT
SCHEMBL4594454 0.87 PRMT5 (0.43) HSD17B10ALDH1A1PRMT5LMNAMAPT
SCHEMBL4594192 0.86 MAPT (0.53) HSD17B10ALDH1A1PRMT5LMNAMAPT
SCHEMBL4594373 0.86 MAPT (0.45) HSD17B10ALDH1A1PRMT5LMNAMAPT
SCHEMBL4586896 0.85 F10 (0.50) HSD17B10ALDH1A1LMNAMAPTF10
SCHEMBL4586490 0.84 KLKB1 (0.47) HSD17B10ALDH1A1PRMT5LMNAMAPT
SCHEMBL5642265 0.84 ALDH1A1 (0.46) HSD17B10ALDH1A1PRMT5LMNAMAPT
SCHEMBL5640828 0.84 HSD17B10 (0.43) HSD17B10ALDH1A1PRMT5LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667647-A4 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP disclosed
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
EP-1667647-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-14 EP disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 US disclosed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 HSD17B10 1275/4885ALDH1A1 2842/4885DGAT2 4752/4885

“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.