SCHEMBL2493944

SCHEMBL2493944

COc1cccc(C(=O)c2cn(-c3cccc(-c4ccccc4OC(F)(F)F)c3)cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.49
SCN10A Q9Y5Y9 2/20 0.49
GRM5 P41594 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42

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
SCHEMBL2493260 0.92 SCN9A (0.50) SCN9ASCN10AGRM5CYP2C9
SCHEMBL2495876 0.91 LMNA (0.48) SCN9AGRM5LMNAMAPK1HTT
SCHEMBL2498099 0.88 SCN9A (0.52) SCN9ASCN10AGRM5CYP2C9
SCHEMBL2498110 0.86 SCN9A (0.52) SCN9ASCN10AGRM5CYP2C9
SCHEMBL2498690 0.86 SCN9A (0.53) SCN9ASCN10AGRM5CYP2C9
SCHEMBL2497146 0.84 ADORA2A (0.46) SCN9ALMNAMAPK1HTTTDP1
SCHEMBL2498135 0.84 POLB (0.47) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2500983 0.83 SCN9A (0.54) SCN9ASCN10AGRM5CYP2C9
SCHEMBL1883650 0.83 SCN9A (0.58) SCN9ASCN10AGRM5CYP2C9
SCHEMBL2501402 0.83 USP30 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030339-B2 Imidazole derivatives for the treatment of anxiety and related diseases NEUROSEARCH A/S (DK) 2011-10-04 US claimed
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases NEUROSEARCH A/S (DK) 2009-09-17 US claimed
EP-1937649-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2008-07-02 EP claimed
WO-2007042546-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2007-04-19 WO claimed
US-8030339-B2 Imidazole derivatives for the treatment of anxiety and related diseases NEUROSEARCH A/S (DK) 2011-10-04 US disclosed
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases NEUROSEARCH A/S (DK) 2009-09-17 US disclosed
EP-1937649-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2008-07-02 EP 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 (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-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases GABBR1, GABRB2, GABRB3 SCN9A 1508/4885SCN10A 1149/4885GRM5 46/4885

“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.