SCHEMBL478770

SCHEMBL478770

COC(=O)Nc1ccc(-c2cc([C@H](CC(=O)NCC(C)C)NC(=O)OC(C)(C)C)nnc2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 9/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
HDAC1 Q13547 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC3 O15379 3/20 0.36
HDAC10 Q969S8 3/20 0.36
AAK1 Q2M2I8 4/20 0.36
CYP17A1 P05093 1/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
F9 P00740 1/20 0.35
KLKB1 P03952 1/20 0.35
HDAC4 P56524 1/20 0.34

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
SCHEMBL478722 0.88 F11 (0.45) F11F10PLGPLATMAPT
SCHEMBL478721 0.88 F11 (0.45) F11F10PLGPLATMAPT
SCHEMBL478834 0.88 F11 (0.45) F11F10PLGPLATMAPT
SCHEMBL478832 0.88 F11 (0.45) F11F10PLGPLATMAPT
SCHEMBL478771 0.85 F11 (0.41) F11F10PLGPLATMAPT
SCHEMBL478973 0.82 F11 (0.57) F11F10PLGPLATMAPT
SCHEMBL479133 0.78 F11 (0.60) F11F10PLGPLATLMNA
SCHEMBL478974 0.75 F11 (0.42) F11F10PLGPLATMAPT
SCHEMBL478942 0.72 F11 (0.55) F11F10PLGPLATMAPT
SCHEMBL478712 0.72 F11 (0.47) F11F10PLGPLATMAPT

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.