SCHEMBL4586541

SCHEMBL4586541

COc1ccc(C(=O)NCC2CC(=O)N(c3ccc(N4CCCCC4=O)cc3)C2)cn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 3/20 0.45
ATM Q13315 1/20 0.44
TACR3 P29371 1/20 0.43
MAPT P10636 2/20 0.43
PRMT5 O14744 1/20 0.43
F10 P00742 3/20 0.43
RECQL P46063 1/20 0.43
CYP1A2 P05177 1/20 0.42
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 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
SCHEMBL4594577 0.88 HSD17B10 (0.46) POLBALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4585921 0.87 F10 (0.54) POLBALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL5639641 0.87 LMNA (0.57) POLBALDH1A1HPGDHSD17B10LMNA
SCHEMBL4593772 0.86 POLB (0.48) POLBALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4587483 0.85 POLB (0.47) POLBALDH1A1HPGDHSD17B10LMNA
SCHEMBL4587930 0.84 F10 (0.40) POLBALDH1A1LMNAATMF10
SCHEMBL4586896 0.83 F10 (0.50) POLBALDH1A1HPGDHSD17B10NPC1
SCHEMBL5640206 0.83 HSD17B10 (0.56) POLBALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL5644079 0.82 MAPT (0.65) POLBALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4593361 0.82 LMNA (0.65) POLBALDH1A1HPGDSMN1; SMN2HSD17B10

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.