SCHEMBL478970

SCHEMBL478970

CNC(=O)N1CCCC(C[C@H](N)c2cc(-c3ccc(NC(=O)OC)cc3)c(Cl)nn2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 7/20 0.52
EPHX2 P34913 2/20 0.37
GRM5 P41594 1/20 0.37
GRM7 Q14831 1/20 0.37
GRM3 Q14832 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
REN P00797 2/20 0.36
BCHE P06276 2/20 0.36
CYP3A4 P08684 1/20 0.36
ACHE P22303 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 1/20 0.35
MAOB P27338 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 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
SCHEMBL479066 0.83 F11 (0.53) F11GRM5GRM7GRM3F10
SCHEMBL479064 0.83 F11 (0.53) F11GRM5GRM7GRM3F10
SCHEMBL478866 0.77 F11 (0.41) F11EPHX2NPC1RAB9AF10
SCHEMBL478554 0.76 F11 (0.89) F11F10PLGPLAT
SCHEMBL478429 0.76 F11 (0.89) F11F10PLGPLAT
SCHEMBL478428 0.76 F11 (0.89) F11F10PLGPLAT
SCHEMBL478555 0.76 F11 (0.89) F11F10PLGPLAT
SCHEMBL478783 0.74 F11 (0.43) F11F10PLGPLATSMN1; SMN2
SCHEMBL478784 0.74 F11 (0.43) F11F10PLGPLATSMN1; SMN2
SCHEMBL478836 0.72 F11 (0.52) F11NPC1RAB9AF10PLG

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 1/4885EPHX2 785/4885GRM5 2544/4885

“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.