SCHEMBL1879655

SCHEMBL1879655

O=C(O)c1cn(-c2cccc(-c3ccccc3)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
COMT P21964 2/20 0.48
KMO O15229 1/20 0.47
MLLT3 P42568 1/20 0.44
MLLT1 Q03111 1/20 0.44
RPA1 P27694 1/20 0.44

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
SCHEMBL2497361 0.88 COMT (0.46) KDM4ECOMTKMOMLLT3MLLT1
SCHEMBL2502818 0.87 COMT (0.45) COMTKMOMLLT3MLLT1
SCHEMBL69486 0.85 KDM4E (0.55) KDM4E
SCHEMBL1878128 0.85 SCN9A (0.49) KDM4E
SCHEMBL1878814 0.85 KDM4E (0.43) KDM4EMLLT3MLLT1
SCHEMBL27894425 0.84 KDM4E (0.54) KDM4E
SCHEMBL2495288 0.84 KMT2A (0.44) KDM4ECOMTMLLT3MLLT1
SCHEMBL30504030 0.83 KDM4E (0.51) KDM4EKMOMLLT3MLLT1
SCHEMBL5509095 0.83 KDM4E (0.51) KDM4EKMOMLLT3MLLT1
SCHEMBL9672296 0.83 MLLT3 (0.61) KDM4EMLLT3MLLT1

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-7939556-B2 Imidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2011-05-10 US claimed
US-20090209597-A1 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA ALPHA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2009-08-20 US claimed
US-8030339-B2 Imidazole derivatives for the treatment of anxiety and related diseases NEUROSEARCH A/S (DK) 2011-10-04 US disclosed
US-7939556-B2 Imidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2011-05-10 US disclosed
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases NEUROSEARCH A/S (DK) 2009-09-17 US disclosed
US-20090209597-A1 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA ALPHA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2009-08-20 US disclosed
EP-1940822-A1 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-A RECEPTOR COMPLEX NeuroSearch A/S (DK) 2008-07-09 EP disclosed
EP-1937649-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2008-07-02 EP disclosed
WO-2007042545-A1 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2007-04-19 WO disclosed
WO-2007042546-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2007-04-19 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-20090209597-A1 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA ALPHA RECEPTOR COMPLEX GABRB1, GABRB2, GABRB3 KDM4E 2635/4885COMT 379/4885KMO 1184/4885
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases GABBR1, GABRB2, GABRB3 KDM4E 2002/4885COMT 210/4885KMO 663/4885

“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.