SCHEMBL13398588

SCHEMBL13398588

Cc1ccccc1-c1ccc([N+](=O)[O-])c(N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
PTPN1 P18031 2/20 0.44
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
MEN1 O00255 1/20 0.42
PSMD14 O00487 1/20 0.42
PRKACA P17612 1/20 0.42
CASP6 P55212 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CLK1 P49759 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
NPBWR1 P48145 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL24071158 0.83 HSD17B10 (0.49) HSD17B10PTPN1MGAMGAASI
SCHEMBL994671 0.82 MPL (0.44) PTPN1MGAMGAASIMGAM2
SCHEMBL28345012 0.82 CASP6 (0.42) HSD17B10PTPN1MGAMGAASI
SCHEMBL7014963 0.82 HSD17B10 (0.44) HSD17B10PTPN1MGAMGAASI
SCHEMBL14471468 0.82 HSP90AA1 (0.43) PTPN1MGAMGAASIMGAM2
SCHEMBL11240173 0.81 ROCK2 (0.38) PTPN1MEN1PSMD14PRKACACASP6
SCHEMBL2312779 0.78 EIF4E (0.44) PTPN1MGAMGAASIMGAM2
SCHEMBL4059206 0.78 MEN1 (0.52) MEN1PSMD14PRKACACASP6KMT2A
SCHEMBL11240092 0.76 TSHR (0.39) HSD17B10GAAMEN1PSMD14PRKACA
SCHEMBL13398504 0.74 CTSB (0.44) HSD17B10MGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105723-A1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-b]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-04-29 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 (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-20100105723-A1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-b]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 HSD17B10 2716/4885PTPN1 1846/4885MGAM 4861/4885

“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.