SCHEMBL2495830

SCHEMBL2495830

COc1ccccc1Br.O=C(c1cn(-c2cccc(-c3ccccc3Cl)c2)cn1)c1nccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.42
TUBB4A P04350 9/20 0.38
TUBB P07437 9/20 0.38
TUBA3C P0DPH7 9/20 0.38
TUBA1B P68363 9/20 0.38
TUBA4A P68366 9/20 0.38
TUBB4B P68371 9/20 0.38
TUBB3 Q13509 9/20 0.38
TUBB2A Q13885 9/20 0.38
TUBB8 Q3ZCM7 9/20 0.38
TUBA3E Q6PEY2 9/20 0.38
TUBA1A Q71U36 9/20 0.38
TUBA1C Q9BQE3 9/20 0.38
TUBB6 Q9BUF5 9/20 0.38
TUBB2B Q9BVA1 9/20 0.38
TUBB1 Q9H4B7 9/20 0.38
CTSA P10619 5/20 0.38
RORC P51449 2/20 0.37
RORB Q92753 2/20 0.37
SCN9A Q15858 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
SCHEMBL2495563 0.93 CTSA (0.43) MGLLTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2501472 0.90 CTSA (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2503497 0.89 MGLL (0.49) MGLLCTSARORCRORBSCN9A
SCHEMBL2494453 0.88 CTSA (0.47) MGLLTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2493283 0.85 CTSA (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2497177 0.81 CTSA (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2498093 0.81 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2496589 0.81 CTSA (0.49) MGLLTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2493513 0.79 CTSA (0.46) MGLLCTSASCN9AGRM4
SCHEMBL2493348 0.79 SCN9A (0.50) CTSASCN9A

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 MGLL 4127/4885TUBB4A 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.