SCHEMBL2501192

SCHEMBL2501192

COc1c(F)cccc1-c1cccc(-n2cnc(C(=O)Cl)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.42
LRRK2 Q5S007 1/20 0.41
TUBB4A P04350 14/20 0.41
TUBB P07437 14/20 0.41
TUBA3C P0DPH7 14/20 0.41
TUBA1B P68363 14/20 0.41
TUBA4A P68366 14/20 0.41
TUBB4B P68371 14/20 0.41
TUBB3 Q13509 14/20 0.41
TUBB2A Q13885 14/20 0.41
TUBB8 Q3ZCM7 14/20 0.41
TUBA3E Q6PEY2 14/20 0.41
TUBA1A Q71U36 14/20 0.41
TUBA1C Q9BQE3 14/20 0.41
TUBB6 Q9BUF5 14/20 0.41
TUBB2B Q9BVA1 14/20 0.41
TUBB1 Q9H4B7 14/20 0.41
NOTUM Q6P988 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL1879116 0.90 CTSA (0.45) CTSALRRK2TUBB4ATUBBTUBA3C
SCHEMBL2493819 0.87 CTSA (0.42) CTSALRRK2TUBB4ATUBBTUBA3C
SCHEMBL2498106 0.86 TUBB4A (0.45) CTSATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1886004 0.86 NOTUM (0.53) CTSALRRK2TUBB4ATUBBTUBA3C
SCHEMBL2497597 0.86 CTSA (0.40) CTSALRRK2TUBB4ATUBBTUBA3C
SCHEMBL2497365 0.85 TUBB4A (0.42) CTSATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2499722 0.85 TUBB4A (0.48) CTSATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2501518 0.85 TUBB4A (0.42) CTSATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2499569 0.84 TUBB4A (0.46) CTSATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2497595 0.84 USP30 (0.43) CTSALRRK2TUBB4ATUBBTUBA3C

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 CTSA 3719/4885LRRK2 329/4885TUBB4A 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.