SCHEMBL479109

SCHEMBL479109

CC(C)(C)OC(=O)NC(Cc1ccc(F)cc1)c1cc(-c2ccc([N+](=O)[O-])cc2)c(=O)[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
GAA P10253 2/20 0.37
PTPRB P23467 5/20 0.37
F11 P03951 1/20 0.37
SCN9A Q15858 1/20 0.37
GRM2 Q14416 1/20 0.37
JAK2 O60674 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL479110 1.00 PPARG (0.40) PPARGPPARAALDH1A1MAPTSMN1; SMN2
SCHEMBL479149 0.92 F11 (0.44) PPARGPPARAALDH1A1MAPTSMN1; SMN2
SCHEMBL479148 0.92 F11 (0.44) PPARGPPARAALDH1A1MAPTSMN1; SMN2
SCHEMBL478941 0.91 ALDH1A1 (0.43) PPARGPPARAALDH1A1MAPTSMN1; SMN2
SCHEMBL478943 0.91 ALDH1A1 (0.43) PPARGPPARAALDH1A1MAPTSMN1; SMN2
SCHEMBL478617 0.86 F11 (0.49) CTSSCTSKPTPRBF11SCN9A
SCHEMBL478795 0.85 MAPT (0.42) PPARGPPARAALDH1A1MAPTSMN1; SMN2
SCHEMBL3434288 0.85 ALDH1A1 (0.42) PPARGPPARAALDH1A1MAPTSMN1; SMN2
SCHEMBL478796 0.85 MAPT (0.42) PPARGPPARAALDH1A1MAPTSMN1; SMN2
SCHEMBL478716 0.79 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2RAB9ANPSR1

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 PPARG 4774/4885PPARA 4697/4885ALDH1A1 2830/4885

“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.