SCHEMBL2493853

SCHEMBL2493853

Brc1ncccn1.COc1cccc(F)c1-c1cccc(-n2cnc(C(=O)c3ccc(F)cc3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 4/20 0.39
HSP90AA1 P07900 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
TUBB4A P04350 11/20 0.37
TUBB P07437 11/20 0.37
TUBA3C P0DPH7 11/20 0.37
TUBA1B P68363 11/20 0.37
TUBA4A P68366 11/20 0.37
TUBB4B P68371 11/20 0.37
TUBB3 Q13509 11/20 0.37
TUBB2A Q13885 11/20 0.37
TUBB8 Q3ZCM7 11/20 0.37
TUBA3E Q6PEY2 11/20 0.37
TUBA1A Q71U36 11/20 0.37
TUBA1C Q9BQE3 11/20 0.37
TUBB6 Q9BUF5 11/20 0.37
TUBB2B Q9BVA1 11/20 0.37
TUBB1 Q9H4B7 11/20 0.37
PSEN1 P49768 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
SCHEMBL2499318 0.94 HSP90AA1 (0.42) CTSAHSP90AA1SCN9ASCN10ATUBB4A
SCHEMBL2496200 0.88 SCN9A (0.40) CTSAHSP90AA1SCN9ASCN10ATUBB4A
SCHEMBL2495428 0.87 TUBB4A (0.40) CTSASCN9ASCN10ATUBB4ATUBB
SCHEMBL2495395 0.87 TUBB4A (0.41) CTSATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2501506 0.86 TUBB4A (0.38) CTSAHSP90AA1SCN9ASCN10ATUBB4A
SCHEMBL2497622 0.86 TUBB4A (0.43) CTSASCN9ASCN10ATUBB4ATUBB
SCHEMBL2503012 0.86 CTSA (0.42) CTSASCN9ASCN10ATUBB4ATUBB
SCHEMBL2493706 0.84 CTSA (0.41) CTSASCN9ASCN10ATUBB4ATUBB
SCHEMBL2497678 0.84 TUBB4A (0.41) CTSASCN9ASCN10ATUBB4ATUBB
SCHEMBL2502858 0.82 SCN9A (0.41) CTSASCN9ASCN10ATUBB4ATUBB

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 4 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 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 CTSA 3719/4885HSP90AA1 1026/4885SCN9A 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.