SCHEMBL479149

SCHEMBL479149

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1cc(-c2ccc([N+](=O)[O-])cc2)c(=O)[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.44
ALDH1A1 P00352 7/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
NPSR1 Q6W5P4 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 4/20 0.41
HTT P42858 4/20 0.41
LMNA P02545 3/20 0.41
PKM P14618 3/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ALOX15 P16050 1/20 0.41
XBP1 P17861 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40

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
SCHEMBL479148 1.00 F11 (0.44) F11ALDH1A1ITGA4ITGB7NPSR1
SCHEMBL479110 0.92 PPARG (0.40) F11ALDH1A1NPSR1SMN1; SMN2HPGD
SCHEMBL479109 0.92 PPARG (0.40) F11ALDH1A1NPSR1SMN1; SMN2HPGD
SCHEMBL478941 0.91 ALDH1A1 (0.43) F11ALDH1A1ITGA4ITGB7NPSR1
SCHEMBL478943 0.91 ALDH1A1 (0.43) F11ALDH1A1ITGA4ITGB7NPSR1
SCHEMBL3434288 0.89 ALDH1A1 (0.42) ALDH1A1NPSR1SMN1; SMN2PPARGPPARA
SCHEMBL478714 0.88 ALDH1A1 (0.46) F11ALDH1A1NPSR1SMN1; SMN2HPGD
SCHEMBL478716 0.88 ALDH1A1 (0.46) F11ALDH1A1NPSR1SMN1; SMN2HPGD
SCHEMBL3416260 0.87 F11 (0.43) F11ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL478796 0.87 MAPT (0.42) F11ALDH1A1NPSR1SMN1; SMN2PPARG

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 1/4885ALDH1A1 2830/4885ITGA4 1045/4885

“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.