SCHEMBL2651689

SCHEMBL2651689

N#Cc1sccc1-c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HIF1A Q16665 1/20 0.44
VCAM1 P19320 2/20 0.40
PTPRC P08575 3/20 0.38
S100A4 P26447 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
CRHBP P24387 1/20 0.37
HTT P42858 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
EGFR P00533 1/20 0.36
AMY1A P0DUB6 1/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPRT1 P00492 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL2649980 0.81 MEN1 (0.51) ALDH1A1HIF1AVCAM1PTPRCS100A4
SCHEMBL4910527 0.78 ALDH1A1 (0.67) ALDH1A1HIF1APTPRCS100A4MEN1
SCHEMBL2651963 0.75 BRD4 (0.35) ALDH1A1KDM4EMAPTNPC1
SCHEMBL2649876 0.74 VCAM1 (0.49) ALDH1A1HIF1AVCAM1PTPRCS100A4
SCHEMBL2648863 0.73 NPC1 (0.46) ALDH1A1HIF1AVCAM1PTPRCS100A4
SCHEMBL2649279 0.73 VCAM1 (0.48) ALDH1A1HIF1AVCAM1PTPRCS100A4
SCHEMBL2649443 0.73 VCAM1 (0.48) ALDH1A1HIF1AVCAM1PTPRCS100A4
SCHEMBL2649016 0.72 ALDH1A1 (0.47) ALDH1A1HIF1AVCAM1PTPRCS100A4
SCHEMBL2650963 0.72 VCAM1 (0.54) ALDH1A1HIF1AVCAM1PTPRCS100A4
SCHEMBL2651269 0.71 ALDH1A1 (0.46) ALDH1A1HIF1APTPRCS100A4MEN1

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.