SCHEMBL478943

SCHEMBL478943

CC(C)(C)OC(=O)N[C@@H](Cc1cccc(F)c1)c1cc(-c2ccc([N+](=O)[O-])cc2)c(=O)[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
NPSR1 Q6W5P4 3/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
JAK2 O60674 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.40
TSHR P16473 3/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PPARG P37231 2/20 0.38
NCOA2 Q15596 1/20 0.38

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
SCHEMBL478941 1.00 ALDH1A1 (0.43) ALDH1A1NPSR1CTSSCTSKJAK2
SCHEMBL479110 0.91 PPARG (0.40) ALDH1A1NPSR1CTSSCTSKJAK2
SCHEMBL479109 0.91 PPARG (0.40) ALDH1A1NPSR1CTSSCTSKJAK2
SCHEMBL479149 0.91 F11 (0.44) ALDH1A1NPSR1JAK2TP53HPGD
SCHEMBL479148 0.91 F11 (0.44) ALDH1A1NPSR1JAK2TP53HPGD
SCHEMBL478976 0.86 F11 (0.49) ALDH1A1NPSR1CTSSCTSKJAK2
SCHEMBL3434288 0.83 ALDH1A1 (0.42) ALDH1A1NPSR1SMN1; SMN2MAPTNPC1
SCHEMBL478795 0.83 MAPT (0.42) ALDH1A1NPSR1SMN1; SMN2MAPTNPC1
SCHEMBL478796 0.83 MAPT (0.42) ALDH1A1NPSR1SMN1; SMN2MAPTNPC1
SCHEMBL478716 0.79 ALDH1A1 (0.46) ALDH1A1NPSR1CTSSCTSKJAK2

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 ALDH1A1 2830/4885NPSR1 1694/4885CTSS 541/4885

“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.