SCHEMBL2497322

SCHEMBL2497322

COc1ccccc1C(=O)c1cn(-c2cccc(-c3cccc(F)c3OC)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 20/20 0.47
TUBB P07437 20/20 0.47
TUBA3C P0DPH7 20/20 0.47
TUBA1B P68363 20/20 0.47
TUBA4A P68366 20/20 0.47
TUBB4B P68371 20/20 0.47
TUBB3 Q13509 20/20 0.47
TUBB2A Q13885 20/20 0.47
TUBB8 Q3ZCM7 20/20 0.47
TUBA3E Q6PEY2 20/20 0.47
TUBA1A Q71U36 20/20 0.47
TUBA1C Q9BQE3 20/20 0.47
TUBB6 Q9BUF5 20/20 0.47
TUBB2B Q9BVA1 20/20 0.47
TUBB1 Q9H4B7 20/20 0.47

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
SCHEMBL2500270 0.92 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2495295 0.89 HTR7 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2498093 0.87 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2502858 0.87 SCN9A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2495962 0.87 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2498106 0.87 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2497365 0.86 TUBB4A (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2493819 0.85 CTSA (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2494823 0.85 TUBB4A (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1879116 0.85 CTSA (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 6 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

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 TUBB4A 1647/4885TUBB 1023/4885TUBA3C 1288/4885

“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.