SCHEMBL4593772

SCHEMBL4593772

COc1cc(C(=O)NCC2CC(=O)N(c3ccc(N4CCCCC4=O)cc3)C2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 4/20 0.45
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.43
F10 P00742 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA2B P08514 1/20 0.42
ITGA5 P08648 1/20 0.42
ITGB5 P18084 1/20 0.42
PRMT5 O14744 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41

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
SCHEMBL4588308 0.88 LMNA (0.44) POLBALDH1A1HPGDLMNAHSD17B10
SCHEMBL4586541 0.86 POLB (0.49) POLBALDH1A1HPGDLMNAHSD17B10
SCHEMBL4587483 0.84 POLB (0.47) POLBALDH1A1HPGDLMNAHSD17B10
SCHEMBL5639641 0.84 LMNA (0.57) POLBALDH1A1HPGDLMNAHSD17B10
SCHEMBL4586896 0.84 F10 (0.50) POLBALDH1A1HPGDLMNAHSD17B10
SCHEMBL4586490 0.82 KLKB1 (0.47) POLBALDH1A1HPGDLMNAHSD17B10
SCHEMBL4587753 0.81 PRMT5 (0.54) POLBALDH1A1HPGDLMNAHSD17B10
SCHEMBL5640731 0.81 CCR3 (0.50) ALDH1A1LMNAHSD17B10MAPTPRMT5
SCHEMBL5640206 0.80 HSD17B10 (0.56) POLBALDH1A1HPGDLMNAHSD17B10
SCHEMBL4594264 0.80 LMNA (0.67) ALDH1A1HPGDLMNAHSD17B10F10

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 POLB 4173/4885ALDH1A1 2842/4885HPGD 1947/4885

“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.