SCHEMBL2500256

SCHEMBL2500256

Cc1ccnc(Br)c1.O=C(c1cn(-c2cccc(-c3ccccc3Cl)c2)cn1)c1ncccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.42
TUBB4A P04350 8/20 0.38
TUBB P07437 8/20 0.38
TUBA3C P0DPH7 8/20 0.38
TUBA1B P68363 8/20 0.38
TUBA4A P68366 8/20 0.38
TUBB4B P68371 8/20 0.38
TUBB3 Q13509 8/20 0.38
TUBB2A Q13885 8/20 0.38
TUBB8 Q3ZCM7 8/20 0.38
TUBA3E Q6PEY2 8/20 0.38
TUBA1A Q71U36 8/20 0.38
TUBA1C Q9BQE3 8/20 0.38
TUBB6 Q9BUF5 8/20 0.38
TUBB2B Q9BVA1 8/20 0.38
TUBB1 Q9H4B7 8/20 0.38
GRM5 P41594 1/20 0.36
NOTUM Q6P988 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2498484 0.89 SCN9A (0.46) SCN9ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2493451 0.88 TUBB4A (0.41) SCN9ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2501484 0.86 SCN9A (0.47) SCN9ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2495900 0.85 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2500098 0.83 SCN9A (0.40) SCN9ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2497770 0.81 SCN9A (0.41) SCN9ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2498936 0.80 SCN9A (0.45) SCN9ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2501415 0.79 SCN9A (0.46) SCN9ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2500130 0.79 CTSA (0.37) SCN9ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2503546 0.79 CTSA (0.39) SCN9AGRM5NOTUMMEN1KMT2A

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 SCN9A 1508/4885TUBB4A 1647/4885TUBB 1023/4885

“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.