SCHEMBL4679965

SCHEMBL4679965

CC(C)(C)OC(=O)NCc1ccccc1C(=O)Nc1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.48
KCNA5 P22460 1/20 0.45
NAMPT P43490 4/20 0.44
SYK P43405 1/20 0.41
FLT1 P17948 2/20 0.40
KDR P35968 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL2012264 0.79 NAMPT (0.58) KCNA5NAMPTKDRNPC1TP53
SCHEMBL24352345 0.75 KCNA5 (0.57) KCNA5NAMPT
SCHEMBL29473197 0.75 KCNA5 (0.57) KCNA5NAMPT
SCHEMBL25762436 0.75 KCNA5 (0.56) KCNA5NAMPTSYKNPC1RAB9A
SCHEMBL13789545 0.74 KCNA5 (0.64) KCNA5NAMPTNPC1TP53RAB9A
SCHEMBL4598040 0.74 KCNA5 (0.56) KCNA5NAMPTNPC1RAB9A
SCHEMBL12434164 0.74 KCNA5 (0.62) KCNA5NAMPTNPC1RAB9A
SCHEMBL12434160 0.73 KCNA5 (0.61) KCNA5NAMPTNPC1TP53RAB9A
SCHEMBL12434161 0.73 KCNA5 (0.61) KCNA5NPC1RAB9A
SCHEMBL1808874 0.72 KCNA5 (0.56) KCNA5NAMPTSYKNPC1RAB9A

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-1558606-A4 LACTAM-CONTAINING DIAMINOALKYL, BETA-AMINOACIDS, ALPHA-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-05-07 EP disclosed
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 US disclosed
EP-1558606-A2 LACTAM-CONTAINING DIAMINOALKYL, BETA-AMINOACIDS, ALPHA-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-08-03 EP disclosed
US-20040077635-A1 Lactam-containing diaminoalkyl, beta-aminoacids, alpha-aminoacids and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
WO-2004031145-A2 LACTAM-CONTAINING DIAMINOALKYL, BETA-AMINOACIDS, ALPHA-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 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 (2 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-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS PEPD, XPNPEP1, METAP1 F10 46/4885KCNA5 2693/4885NAMPT 2174/4885
US-20040077635-A1 Lactam-containing diaminoalkyl, beta-aminoacids, alpha-aminoacids and derivatives thereof as factor Xa inhibitors PEPD, METAP1, XPNPEP1 F10 63/4885KCNA5 3215/4885NAMPT 2131/4885

“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.