SCHEMBL478865

SCHEMBL478865

COC(=O)Nc1ccc(-c2cc(C(N)Cc3ccccc3)c(=O)[nH]n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F11 P03951 14/20 0.52
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KLKB1 P03952 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
GAA P10253 1/20 0.40
ROCK2 O75116 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
SCHEMBL478850 0.83 F11 (0.57) F11NPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL3414032 0.82 PDE4A (0.42) F11SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL479338 0.82 F11 (0.53) F11NPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL479341 0.82 F11 (0.53) F11NPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL478787 0.81 F11 (0.52) F11NPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL3411795 0.77 SMN1; SMN2 (0.39) F11NPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL1197260 0.76 SMN1; SMN2 (0.44) F11NPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL3414217 0.76 F11 (0.39) F11NPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL479060 0.76 F11 (0.51) F11NPC1RAB9ASMN1; SMN2KLKB1
SCHEMBL478851 0.74 ROCK2 (0.45) F11NPC1RAB9ASMN1; SMN2PDE4A

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
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
EP-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 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 (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 1/4885NPC1 3955/4885RAB9A 3597/4885

“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.