SCHEMBL2496017

SCHEMBL2496017

COc1ccc(Br)cc1.COc1cccc(C(=O)c2cn(-c3cccc(-c4ccccc4Cl)c3)cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
TUBB4A P04350 10/20 0.41
TUBB P07437 10/20 0.41
TUBA3C P0DPH7 10/20 0.41
TUBA1B P68363 10/20 0.41
TUBA4A P68366 10/20 0.41
TUBB4B P68371 10/20 0.41
TUBB3 Q13509 10/20 0.41
TUBB2A Q13885 10/20 0.41
TUBB8 Q3ZCM7 10/20 0.41
TUBA3E Q6PEY2 10/20 0.41
TUBA1A Q71U36 10/20 0.41
TUBA1C Q9BQE3 10/20 0.41
TUBB6 Q9BUF5 10/20 0.41
TUBB2B Q9BVA1 10/20 0.41
TUBB1 Q9H4B7 10/20 0.41
SCN9A Q15858 1/20 0.39
USP30 Q70CQ3 1/20 0.39
CNR2 P34972 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
SCHEMBL2497146 0.94 ADORA2A (0.46) ADORA2AADORA1TUBB4ATUBBTUBA3C
SCHEMBL2496625 0.89 SCN9A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2495983 0.88 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2501421 0.86 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2495876 0.84 LMNA (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2501441 0.83 SCN9A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2497602 0.83 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2494642 0.83 RXFP1 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2498135 0.82 POLB (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4635994 0.82 TUBB4A (0.43) 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 ADORA2A 132/4885ADORA1 179/4885TUBB4A 1647/4885

“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.