SCHEMBL2534751

SCHEMBL2534751

CC(C)Oc1ccc([N+](=O)[O-])cc1C(N)OC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 4/20 0.39
PDK1 Q15118 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 7/20 0.37
KMT2A Q03164 7/20 0.37
ALDH1A1 P00352 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 2/20 0.34
HTR2A P28223 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
SCHEMBL17593420 0.76 CYP19A1 (0.51) CYP19A1SMN1; SMN2LMNAPDK1TDP1
Trifluoroacetic Acid SCHEMBL2534748 0.73 KCNJ1 (0.46) CYP19A1SMN1; SMN2LMNAPDK1TDP1
SCHEMBL16960694 0.73 CYP19A1 (0.51) CYP19A1SMN1; SMN2LMNAPDK1TDP1
SCHEMBL11339662 0.72 CYP1A2 (0.51) CYP19A1SMN1; SMN2LMNAPDK1TDP1
SCHEMBL11835883 0.70 CYP19A1 (0.61) CYP19A1SMN1; SMN2LMNAPDK1TDP1
SCHEMBL16959952 0.70 CYP19A1 (0.46) CYP19A1SMN1; SMN2LMNAPDK1TDP1
SCHEMBL7912218 0.70 CYP19A1 (0.51) CYP19A1SMN1; SMN2LMNAPDK1TDP1
SCHEMBL2039588 0.70 CYP19A1 (0.54) CYP19A1SMN1; SMN2LMNAPDK1TDP1
SCHEMBL15210001 0.70 CYP19A1 (0.54) CYP19A1SMN1; SMN2LMNAPDK1TDP1
SCHEMBL16950758 0.70 CYP19A1 (0.48) CYP19A1SMN1; SMN2LMNAPDK1TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044242-B2 2-(aryloxy) acetamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
US-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 US disclosed
EP-1996541-A1 2-(ARYLOXY)ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2008-12-03 EP disclosed
WO-2007103996-A1 2-(ARYLOXY)ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-13 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-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F12 CYP19A1 798/4885SMN1; SMN2 3751/4885LMNA 825/4885

“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.