SCHEMBL2493418

SCHEMBL2493418

COc1cccc(F)c1-c1cccc(-n2cnc(C(=O)Cl)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
CTSA P10619 8/20 0.42
MAP4K1 Q92918 4/20 0.38
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
NOTUM Q6P988 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
NTRK1 P04629 1/20 0.36
MAP4K2 Q12851 1/20 0.36
STK4 Q13043 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 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
SCHEMBL1887078 0.90 CTSA (0.45) SCN9ASCN10ACTSAMAP4K1
SCHEMBL2502858 0.87 SCN9A (0.41) SCN9ASCN10ACTSAMAP4K1TUBB4A
SCHEMBL2499318 0.87 HSP90AA1 (0.42) SCN9ASCN10ACTSAMAP4K1TUBB4A
SCHEMBL2503012 0.87 CTSA (0.42) SCN9ASCN10ACTSAMAP4K1HTR1A
SCHEMBL1881119 0.86 NOTUM (0.53) SCN9ASCN10ACTSAMAP4K1NOTUM
SCHEMBL2495973 0.86 SCN9A (0.41) SCN9ASCN10ACTSAMAP4K1HTR1A
SCHEMBL2496200 0.85 SCN9A (0.40) SCN9ASCN10ACTSAMAP4K1TUBB4A
SCHEMBL2493706 0.85 CTSA (0.41) SCN9ASCN10ACTSAMAP4K1GRIN1
SCHEMBL2497622 0.85 TUBB4A (0.43) SCN9ASCN10ACTSAMAP4K1GRIN1
SCHEMBL2498495 0.84 CTSA (0.43) SCN9ASCN10ACTSATUBB4ATUBB

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 SCN9A 1508/4885SCN10A 1149/4885CTSA 3719/4885

“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.