SCHEMBL4129024

SCHEMBL4129024

O=c1[nH]c(=O)c2cc([N+](=O)[O-])cnc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
PARP1 P09874 3/20 0.43
GALR3 O60755 1/20 0.41
IDO1 P14902 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KAT2B Q92831 2/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA2 P47869 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL20569889 0.80 PRKD3 (0.54) CA12CA9GALR3MEN1KMT2A
SCHEMBL1773186 0.74 IDO1 (0.41) IDO1MEN1KMT2AKAT2BGABRA1
SCHEMBL8478336 0.73 GRIA1 (0.54) PARP1ALDH1A1CYP1A2MAPTGRIA1
SCHEMBL14828969 0.73 KDM4E (0.45) PARP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL1253533 0.73 KDR (0.62) ALDH1A1KDM4ECYP1A2GAAMAPT
SCHEMBL12235160 0.73 KDM4E (0.50) ALDH1A1KDM4ECYP1A2GAAMAPT
SCHEMBL7554127 0.73 KDM4E (0.42) PARP1ALDH1A1KDM4ECYP1A2GAA
SCHEMBL14236122 0.72 IDO1 (0.42) CA12CA9PARP1IDO1MEN1
SCHEMBL1593117 0.72 IDO1 (0.53) IDO1MEN1KMT2AKAT2BGABRA1
SCHEMBL15999446 0.72 GABRA1 (0.55) PARP1IDO1MEN1KMT2AGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318730-B2 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-27 US disclosed
US-8318730-B2 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-27 US disclosed
US-7615552-B2 Fused heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-11-10 US disclosed
US-7615552-B2 Fused heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-11-10 US disclosed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 US disclosed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 US disclosed
EP-1687002-A4 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2008-07-23 EP disclosed
EP-1687002-A1 FUSED HETEROCYCLIC COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-09 EP disclosed
US-20050250770-A1 Fused heterocyclic compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-11-10 US disclosed
WO-2005046698-A1 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 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-20050250770-A1 Fused heterocyclic compounds IL2, IL4, IL15 CA12 139/4885CA9 1433/4885PARP1 2501/4885
US-20090253694-A1 Fused hetrocyclic compounds IL2, IL15, IL4 CA12 745/4885CA9 2887/4885PARP1 3175/4885

“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.