SCHEMBL1880802

SCHEMBL1880802

CCOC(=O)c1cn(-c2cccc(-c3cnc(OC)nc3OC)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
GABRA2 P47869 6/20 0.41
GABRB2 P47870 6/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
QPCT Q16769 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
CYP1A2 P05177 1/20 0.38
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
P2RX3 P56373 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37

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
SCHEMBL1882946 0.88 KDM4E (0.43) MEN1KMT2APTGES2QPCTQPCTL
SCHEMBL2499463 0.86 PTGES2 (0.41) NOTUMMEN1KMT2APTGES2QPCT
SCHEMBL2493951 0.84 PTGES2 (0.39) MEN1KMT2APTGES2QPCTQPCTL
SCHEMBL2499577 0.83 USP30 (0.42) GABRA2MEN1KMT2APTGES2QPCT
SCHEMBL2499587 0.83 PTGES2 (0.39) GABRA2MEN1KMT2APTGES2QPCT
SCHEMBL2498120 0.83 PTGES2 (0.37) NOTUMMEN1KMT2APTGES2QPCT
SCHEMBL2495845 0.83 PTGES2 (0.37) MEN1KMT2APTGES2QPCTQPCTL
SCHEMBL2498117 0.82 PDE10A (0.41) MEN1KMT2APTGES2QPCTQPCTL
SCHEMBL2493441 0.82 PTGES2 (0.40) MEN1KMT2APTGES2QPCTQPCTL
SCHEMBL2493866 0.82 PTGES2 (0.37) GABRA2MEN1KMT2APTGES2QPCT

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 NOTUM 4586/4885GABRA2 4/4885GABRB2 2/4885
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases GABBR1, GABRB2, GABRB3 NOTUM 4467/4885GABRA2 6/4885GABRB2 2/4885

“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.