SCHEMBL2534745

SCHEMBL2534745

CC(C)Sc1ccc([N+](=O)[O-])cc1C#N

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.54
ALDH1A1 P00352 8/20 0.48
LMNA P02545 6/20 0.48
KMT2A Q03164 3/20 0.46
GAA P10253 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RECQL P46063 1/20 0.43
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
XDH P47989 2/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 2/20 0.39
BCL6 P41182 1/20 0.39
BCOR Q6W2J9 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AR P10275 1/20 0.37

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
SCHEMBL8164896 0.83 VCAM1 (0.58) VCAM1ALDH1A1LMNAKMT2AGAA
SCHEMBL13401417 0.82 VCAM1 (0.62) VCAM1ALDH1A1LMNAKMT2AGAA
SCHEMBL2544574 0.79 VCAM1 (0.54) VCAM1ALDH1A1LMNAKMT2AGAA
SCHEMBL6556637 0.76 ALDH1A1 (0.49) ALDH1A1LMNAKMT2AGAATXNRD1
SCHEMBL2917511 0.76 ALDH1A1 (0.49) ALDH1A1LMNAKMT2AGAASMN1; SMN2
SCHEMBL6556669 0.76 PDE7A (0.56) ALDH1A1LMNAKMT2AGAASMN1; SMN2
SCHEMBL8866352 0.75 PDE7A (0.62) VCAM1ALDH1A1LMNAKMT2AGAA
SCHEMBL73860 0.75 VCAM1 (0.70) VCAM1ALDH1A1LMNAKMT2AGAA
SCHEMBL27912605 0.74 VCAM1 (0.55) VCAM1ALDH1A1LMNAKMT2AGAA
SCHEMBL26661042 0.74 VCAM1 (0.55) VCAM1ALDH1A1LMNAKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996541-B1 2-(ARYLOXY)ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8420830-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-16 US disclosed
US-8044242-B2 2-(aryloxy) acetamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
US-8044242-B2 2-(aryloxy) acetamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
US-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 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 (2 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-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F5 VCAM1 1775/4885ALDH1A1 4067/4885LMNA 159/4885
US-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F12 VCAM1 3408/4885ALDH1A1 1597/4885LMNA 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.