SCHEMBL479067

SCHEMBL479067

CNC(=O)N1CCCC([C@H](Cc2cc(-c3ccc(NC(=O)OC)cc3)c(Cl)nn2)NC(=O)OCc2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F11 P03951 4/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
BCHE P06276 2/20 0.37
ACHE P22303 1/20 0.37
TGM2 P21980 1/20 0.36
CCR1 P32246 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
MAOB P27338 1/20 0.35
CTSK P43235 3/20 0.35
CTSL P07711 2/20 0.35
CTSS P25774 2/20 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
SCHEMBL479118 0.85 PDE3B (0.40) F11F10PLGPLAT
SCHEMBL479066 0.82 F11 (0.53) F11F10PLGPLATBCHE
SCHEMBL479064 0.82 F11 (0.53) F11F10PLGPLATBCHE
SCHEMBL479116 0.69 F11 (0.44) F11F10PLGPLAT
SCHEMBL479117 0.69 F11 (0.44) F11F10PLGPLAT
SCHEMBL478882 0.66 F11 (0.58) F11F10PLGPLATCTSK
SCHEMBL478974 0.65 F11 (0.42) F11F10PLGPLAT
SCHEMBL478958 0.65 F11 (0.42) F11
SCHEMBL478836 0.65 F11 (0.52) F11F10PLGPLAT
SCHEMBL478883 0.65 F11 (0.45) F11F10PLGPLATCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
EP-2265601-B1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP disclosed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 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 (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-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 F11 1/4885F10 14/4885PLG 27/4885

“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.