SCHEMBL2497619

SCHEMBL2497619

COc1ccccc1-c1cccc(-n2cnc(C(=O)c3cc(C)ccn3)c2)c1.Cc1cccnc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 11/20 0.40
TUBB P07437 11/20 0.40
TUBA3C P0DPH7 11/20 0.40
TUBA1B P68363 11/20 0.40
TUBA4A P68366 11/20 0.40
TUBB4B P68371 11/20 0.40
TUBB3 Q13509 11/20 0.40
TUBB2A Q13885 11/20 0.40
TUBB8 Q3ZCM7 11/20 0.40
TUBA3E Q6PEY2 11/20 0.40
TUBA1A Q71U36 11/20 0.40
TUBA1C Q9BQE3 11/20 0.40
TUBB6 Q9BUF5 11/20 0.40
TUBB2B Q9BVA1 11/20 0.40
TUBB1 Q9H4B7 11/20 0.40
GRM5 P41594 2/20 0.38
UGCG Q16739 1/20 0.37
HTR7 P34969 1/20 0.35
SCN9A Q15858 1/20 0.35
MAOA P21397 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
SCHEMBL2496585 0.91 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2500098 0.88 SCN9A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2495285 0.88 TUBB4A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2503551 0.88 CTSA (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2493451 0.84 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2497854 0.83 GRM5 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2495406 0.83 GRM5 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2501422 0.83 CTSA (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2502847 0.82 SCN9A (0.52) GRM5SCN9A
SCHEMBL2503103 0.82 GRM5 (0.41) 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.