SCHEMBL4587930

SCHEMBL4587930

COc1ccc(C(=O)NCC2CC(=O)N(c3ccc(N(C)C(=O)CN4CCCC4)cc3)C2)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.40
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
EGLN1 Q9GZT9 3/20 0.37
ATM Q13315 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
MLLT1 Q03111 1/20 0.36
LMNA P02545 2/20 0.36
BTK Q06187 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
GSK3B P49841 1/20 0.35
ACKR3 P25106 1/20 0.35
MCHR1 Q99705 1/20 0.35
MAPK8 P45983 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
SCHEMBL5642707 0.90 KIT (0.39) F10KMT2AMEN1LMNAALDH1A1
SCHEMBL4587086 0.89 F10 (0.46) F10KMT2AMEN1LMNAALDH1A1
SCHEMBL4588107 0.88 LMNA (0.47) F10KMT2ALMNAALDH1A1POLB
SCHEMBL5642492 0.85 TP53 (0.45) F10LMNAALDH1A1
SCHEMBL4586541 0.84 POLB (0.49) F10KMT2AMEN1ATMLMNA
SCHEMBL5642348 0.82 BCHE (0.49) KMT2AMEN1GAAPOLB
SCHEMBL4586645 0.82 BCHE (0.38) MLLT1
SCHEMBL4587510 0.82 CCR3 (0.46) ACKR3
SCHEMBL4587468 0.81 BCHE (0.40) KMT2AMEN1LMNAALDH1A1
SCHEMBL5640063 0.81 CCR3 (0.44) KMT2AMEN1LMNAALDH1A1POLB

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 F10 18/4885KMT2A 3394/4885MEN1 671/4885

“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.