SCHEMBL4492346

SCHEMBL4492346

CN(C)CC(=O)N(C)c1ccc(I)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
APP P05067 3/20 0.38
KMT2A Q03164 2/20 0.37
GPBAR1 Q8TDU6 1/20 0.35
TPMT P51580 1/20 0.34
POLQ O75417 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
KDR P35968 1/20 0.34
LMNA P02545 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL8255637 0.82 ALDH1A1 (0.46) KMT2ALMNAMEN1
SCHEMBL28508705 0.81 ALDH1A1 (0.41) LMNA
SCHEMBL3145218 0.81 PPIB (0.46) KMT2APOLQPDGFRBFGFR1KDR
SCHEMBL28717526 0.81 AOC3 (0.40) HIF1AEPAS1APPKMT2AGPBAR1
SCHEMBL4487778 0.81 HIF1A (0.42) HIF1AEPAS1APPKMT2AGPBAR1
SCHEMBL1819075 0.80 KMT2A (0.54) KMT2APOLQMEN1
SCHEMBL20680249 0.79 POLQ (0.40) HIF1AEPAS1APPKMT2ATPMT
SCHEMBL20710175 0.79 HCRTR2 (0.43) KMT2AGPBAR1LMNAMEN1
SCHEMBL20710176 0.78 ALDH1A1 (0.47) HIF1AKMT2AGPBAR1LMNAMEN1
SCHEMBL13227078 0.78 NR1H4 (0.50) KMT2APOLQLMNAMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524863-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-28 US disclosed
US-7157470-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
EP-1501798-A4 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-11-22 EP disclosed
US-20060247243-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors SMALLHEER JOANNE M 2006-11-02 US disclosed
EP-1501798-A2 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
WO-2004041776-A2 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-21 WO disclosed
US-20040006062-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-01-08 US 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-20060247243-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, SPINT2, F5 HIF1A 4043/4885EPAS1 4019/4885APP 1753/4885
US-20040006062-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, SPINT2, PRSS1 HIF1A 3598/4885EPAS1 3569/4885APP 2032/4885

“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.