SCHEMBL4748205

SCHEMBL4748205

O=C(O)c1ccc(-n2ccncc2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
ADH5 P11766 4/20 0.51
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
F10 P00742 2/20 0.46
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
DDAH1 O94760 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
CA1 P00915 2/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
MAPK14 Q16539 1/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
APP P05067 1/20 0.43

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
SCHEMBL2639862 0.85 MKNK1 (0.46) NR4A1NR4A2F10MKNK1MKNK2
SCHEMBL8135431 0.81 ADH5 (0.67) NR4A1NR4A2ADH5CA12CA9
SCHEMBL4743775 0.81 HTT (0.60) CA12CA9F10CA1ALDH1A1
SCHEMBL8266914 0.77 F2 (0.42) F10ALDH1A1MAPTMAPK14NPC1
SCHEMBL77918 0.77 MAPT (0.48) F10MKNK1MKNK2ALDH1A1MAPT
SCHEMBL5433501 0.75 F10 (0.46) CA12CA9F10CA1ALDH1A1
SCHEMBL31589965 0.75 NR4A1 (0.64) NR4A1NR4A2ADH5CA12CA9
SCHEMBL1675775 0.74 TBXAS1 (0.45) F10MAPK14CA2POLB
SCHEMBL26436213 0.74 CYP19A1 (0.48) NR4A1NR4A2ADH5CA12CA9
SCHEMBL5431351 0.73 F10 (0.46) CA12CA9F10CA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603572-A4 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-25 EP disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
EP-1603572-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP disclosed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD NR4A1 1406/4885NR4A2 3669/4885ADH5 3731/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 NR4A1 1661/4885NR4A2 3672/4885ADH5 3961/4885

“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.