SCHEMBL2007630

SCHEMBL2007630

CCOC(=O)COc1ccc(C(=O)CN2Cc3cc([N+](=O)[O-])ccc3C2=O)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
AOC3 Q16853 2/20 0.42
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NTSR1 P30989 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 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
SCHEMBL2012815 0.86 HPGD (0.47) HPGDAOC3KMT2AALDH1A1LMNA
SCHEMBL2013236 0.84 HPGD (0.45) HPGDAOC3KMT2AALDH1A1LMNA
SCHEMBL2011122 0.83 HPGD (0.46) HPGDAOC3KMT2AALDH1A1LMNA
SCHEMBL2011518 0.83 ITGB3 (0.53) HPGDAOC3KMT2ALMNAHSD17B10
SCHEMBL3606023 0.82 HPGD (0.45) HPGDAOC3KMT2AALDH1A1LMNA
SCHEMBL2014799 0.82 HPGD (0.43) HPGDAOC3KMT2AALDH1A1LMNA
SCHEMBL2012100 0.82 HPGD (0.45) HPGDAOC3KMT2AALDH1A1LMNA
SCHEMBL2009803 0.80 HPGD (0.44) HPGDAOC3KMT2AALDH1A1LMNA
SCHEMBL2005628 0.80 ADORA2A (0.41) HPGDAOC3KMT2AALDH1A1LMNA
SCHEMBL2009805 0.80 AOC3 (0.41) HPGDAOC3KMT2AALDH1A1LMNA

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-7964628-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 US disclosed
US-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-07 US disclosed
US-7759387-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-07-20 US disclosed
US-20070021489-A1 Fibrinogen receptor antagonists and their use NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-25 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 (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-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE FGB, F13B, F2 HPGD 1551/4885AOC3 3283/4885KMT2A 4561/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 HPGD 1551/4885AOC3 3283/4885KMT2A 4561/4885

“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.