SCHEMBL2652739

SCHEMBL2652739

N#Cc1ccccc1-c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HIF1A Q16665 1/20 0.45
VCAM1 P19320 2/20 0.44
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
ESR2 Q92731 1/20 0.44
PTPN5 P54829 1/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPA1 O75762 1/20 0.41
NR3C1 P04150 1/20 0.40
GRIA1 P42261 2/20 0.39
GRIA2 P42262 2/20 0.39
GRIA3 P42263 2/20 0.39
GRIA4 P48058 2/20 0.39
GRM6 O15303 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
SCHEMBL27763594 0.87 ESR2 (0.47) ALDH1A1HIF1AVCAM1ESR2PTPN5
SCHEMBL7835151 0.83 CES2 (0.47) ALDH1A1VCAM1ESR2MAPTLMNA
SCHEMBL16581282 0.83 ALDH1A1 (0.50) ALDH1A1HIF1AVCAM1MAPTMEN1
SCHEMBL7018615 0.83 TDP1 (0.58) ALDH1A1VCAM1ALOX5APFEN1ESR2
SCHEMBL6320483 0.82 ALDH1A1 (0.53) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL7014519 0.80 HSD17B10 (0.45) ALDH1A1VCAM1ESR2MAPTMEN1
SCHEMBL27737266 0.79 VCAM1 (0.54) ALDH1A1HIF1AVCAM1ESR2MAPT
SCHEMBL6318909 0.78 ALDH1A1 (0.49) ALDH1A1HIF1AVCAM1ALOX5APFEN1
SCHEMBL11579276 0.76 ALDH1A1 (0.67) ALDH1A1HIF1AVCAM1MAPTLMNA
SCHEMBL7022740 0.76 HTT (0.61) ALDH1A1MAPTLMNAHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 EP disclosed
US-6900215-B2 For therapy of disorders of central nervous system, including anxiety, convulsions and cognitive disorders MERCK SHARP & DOHME LTD. (GB) 2005-05-31 US disclosed
EP-1381606-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-21 EP disclosed
US-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME (UK) LIMITED (GB) 2002-12-19 US disclosed
WO-2002074773-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 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 (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-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA2 ALDH1A1 404/4885HIF1A 635/4885VCAM1 2786/4885

“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.