SCHEMBL2497602

SCHEMBL2497602

COc1cccc(Br)c1.COc1ccccc1C(=O)c1cn(-c2cccc(-c3ccccc3Cl)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 13/20 0.44
TUBB P07437 13/20 0.44
TUBA3C P0DPH7 13/20 0.44
TUBA1B P68363 13/20 0.44
TUBA4A P68366 13/20 0.44
TUBB4B P68371 13/20 0.44
TUBB3 Q13509 13/20 0.44
TUBB2A Q13885 13/20 0.44
TUBB8 Q3ZCM7 13/20 0.44
TUBA3E Q6PEY2 13/20 0.44
TUBA1A Q71U36 13/20 0.44
TUBA1C Q9BQE3 13/20 0.44
TUBB6 Q9BUF5 13/20 0.44
TUBB2B Q9BVA1 13/20 0.44
TUBB1 Q9H4B7 13/20 0.44
RORB Q92753 4/20 0.40
RORC P51449 3/20 0.40
SCN9A Q15858 1/20 0.38

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
SCHEMBL2498093 0.91 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2500270 0.90 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2498700 0.85 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2495295 0.84 HTR7 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2497146 0.83 ADORA2A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2496017 0.83 ADORA2A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2496584 0.82 RORB (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2501421 0.81 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2496625 0.80 SCN9A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2497322 0.80 TUBB4A (0.47) 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 2 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

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.