SCHEMBL1886004

SCHEMBL1886004

CCOC(=O)c1cn(-c2cccc(-c3cccc(F)c3OC)c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
CTSA P10619 1/20 0.42
SCN9A Q15858 1/20 0.41
GABRA2 P47869 5/20 0.40
GABRB2 P47870 5/20 0.40
TUBB4A P04350 5/20 0.40
TUBB P07437 5/20 0.40
TUBA3C P0DPH7 5/20 0.40
TUBA1B P68363 5/20 0.40
TUBA4A P68366 5/20 0.40
TUBB4B P68371 5/20 0.40
TUBB3 Q13509 5/20 0.40
TUBB2A Q13885 5/20 0.40
TUBB8 Q3ZCM7 5/20 0.40
TUBA3E Q6PEY2 5/20 0.40
TUBA1A Q71U36 5/20 0.40
TUBA1C Q9BQE3 5/20 0.40
TUBB6 Q9BUF5 5/20 0.40
TUBB2B Q9BVA1 5/20 0.40
TUBB1 Q9H4B7 5/20 0.40

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
SCHEMBL1879116 0.87 CTSA (0.45) CTSATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2501192 0.86 CTSA (0.42) NOTUMCTSASCN9ATUBB4ATUBB
SCHEMBL1882075 0.85 NOTUM (0.55) NOTUMSCN9AGABRA2GABRB2GRM5
SCHEMBL1881119 0.84 NOTUM (0.53) NOTUMCTSASCN9AGABRA2GABRB2
SCHEMBL1883712 0.84 NOTUM (0.54) NOTUMSCN9AGABRA2GABRB2GRM5
SCHEMBL1886868 0.84 NOTUM (0.65) NOTUMSCN9AGABRA2GABRB2TP53
SCHEMBL1874967 0.83 NOTUM (0.52) NOTUMCTSASCN9AGABRA2GABRB2
SCHEMBL2493819 0.83 CTSA (0.42) CTSATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2497595 0.83 USP30 (0.43) CTSASCN9ATUBB4ATUBBTUBA3C
SCHEMBL2498106 0.82 TUBB4A (0.45) CTSATUBB4ATUBBTUBA3CTUBA1B

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 4586/4885CTSA 2945/4885SCN9A 1035/4885
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases GABBR1, GABRB2, GABRB3 NOTUM 4467/4885CTSA 3719/4885SCN9A 1508/4885

“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.