SCHEMBL3863271

SCHEMBL3863271

O=C(O)CC(NC(=O)OCc1ccccc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP26A1 O43174 1/20 0.52
LMNA P02545 2/20 0.47
RAB9A P51151 1/20 0.47
CASP1 P29466 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGAV P06756 1/20 0.47
ITGA2B P08514 1/20 0.47
ITGB5 P18084 1/20 0.47
ITGB6 P18564 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
FFAR1 O14842 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL3863275 1.00 HTT (0.54) HTTSMN1; SMN2L3MBTL1CYP26A1LMNA
SCHEMBL6648096 0.90 L3MBTL1 (0.51) HTTSMN1; SMN2L3MBTL1CYP26A1LMNA
SCHEMBL8240159 0.89 ALDH1A1 (0.59) HTTSMN1; SMN2L3MBTL1CYP26A1LMNA
SCHEMBL13619485 0.89 ALDH1A1 (0.59) HTTSMN1; SMN2L3MBTL1CYP26A1LMNA
SCHEMBL13331128 0.89 ALDH1A1 (0.59) HTTSMN1; SMN2L3MBTL1CYP26A1LMNA
SCHEMBL3839313 0.85 CYP26A1 (0.43) HTTSMN1; SMN2L3MBTL1CYP26A1LMNA
SCHEMBL8240099 0.84 HTT (0.56) HTTSMN1; SMN2L3MBTL1RAB9AHDAC1
SCHEMBL11533827 0.84 SMN1; SMN2 (0.56) HTTSMN1; SMN2L3MBTL1LMNARAB9A
SCHEMBL13619512 0.84 HTT (0.56) HTTSMN1; SMN2L3MBTL1RAB9AHDAC1
SCHEMBL27733211 0.84 HTT (0.56) HTTSMN1; SMN2L3MBTL1RAB9AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971582-B1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2012-10-10 EP disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
EP-1971582-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-09-24 EP disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
WO-2007076431-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-05 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-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 HTT 4412/4885SMN1; SMN2 3845/4885L3MBTL1 513/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 HTT 4412/4885SMN1; SMN2 3845/4885L3MBTL1 513/4885

“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.