SCHEMBL4594272

SCHEMBL4594272

O=C(NCC1CC(=O)N(c2ccc(-n3ccccc3=O)cc2)C1)c1cc2cnc(Cl)cc2o1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
F10 P00742 9/20 0.38
PAK1 Q13153 1/20 0.38
POLB P06746 1/20 0.38
KLKB1 P03952 2/20 0.38
GRM4 Q14833 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
METTL3 Q86U44 1/20 0.35
METTL14 Q9HCE5 1/20 0.35

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
SCHEMBL5642447 0.92 TP53 (0.45) TP53LMNAMAPTF10PAK1
SCHEMBL5643391 0.87 TP53 (0.56) TP53LMNAMAPTF10POLB
SCHEMBL5639536 0.86 TP53 (0.54) TP53LMNAMAPTF10POLB
SCHEMBL4588111 0.81 MAPK14 (0.42) F10PAK1
SCHEMBL4586894 0.78 F10 (0.43) TP53F10KLKB1EGLN1
SCHEMBL4593936 0.77 F10 (0.43) F10PAK1
SCHEMBL4594684 0.77 F10 (0.55) TP53LMNAF10
SCHEMBL4586501 0.77 KLKB1 (0.39) F10PAK1KLKB1EGLN1
SCHEMBL5640760 0.76 F10 (0.56) LMNAF10
SCHEMBL4587434 0.76 CTSL (0.46) F10

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 TP53 4214/4885LMNA 774/4885MAPT 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.