SCHEMBL4594577

SCHEMBL4594577

Nc1ccc(C(=O)NCC2CC(=O)N(c3ccc(N4CCCCC4=O)cc3)C2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
PRMT5 O14744 1/20 0.45
RECQL P46063 1/20 0.45
F10 P00742 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 5/20 0.43
METTL3 Q86U44 1/20 0.43
CYP1A2 P05177 1/20 0.42
NPC1 O15118 2/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 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
SCHEMBL4585921 0.90 F10 (0.54) HSD17B10ALDH1A1MAPTLMNAPRMT5
SCHEMBL4586541 0.88 POLB (0.49) HSD17B10ALDH1A1MAPTLMNAPRMT5
SCHEMBL5643671 0.87 HSD17B10 (0.42) HSD17B10ALDH1A1MAPTLMNAPRMT5
SCHEMBL4594454 0.87 PRMT5 (0.43) HSD17B10ALDH1A1MAPTLMNAPRMT5
SCHEMBL4588308 0.86 LMNA (0.44) HSD17B10ALDH1A1MAPTLMNAPRMT5
SCHEMBL4587719 0.85 HSD17B10 (0.44) HSD17B10ALDH1A1MAPTLMNAPRMT5
SCHEMBL5641374 0.85 LMNA (0.53) HSD17B10ALDH1A1MAPTLMNAPRMT5
SCHEMBL5640828 0.84 HSD17B10 (0.43) HSD17B10ALDH1A1MAPTLMNAPRMT5
SCHEMBL5644079 0.84 MAPT (0.65) HSD17B10ALDH1A1MAPTLMNAPRMT5
SCHEMBL4593361 0.84 LMNA (0.65) HSD17B10ALDH1A1MAPTLMNAPRMT5

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 2842/4885MAPT 4614/4885

“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.