SCHEMBL2503012

SCHEMBL2503012

COc1cccc(F)c1-c1cccc(-n2cnc(C(=O)c3ncccn3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 5/20 0.42
SCN9A Q15858 2/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
SYK P43405 1/20 0.36
MAP4K1 Q92918 3/20 0.36
TUBB4A P04350 5/20 0.36
TUBB P07437 5/20 0.36
TUBA3C P0DPH7 5/20 0.36
TUBA1B P68363 5/20 0.36
TUBA4A P68366 5/20 0.36
TUBB4B P68371 5/20 0.36
TUBB3 Q13509 5/20 0.36
TUBB2A Q13885 5/20 0.36
TUBB8 Q3ZCM7 5/20 0.36
TUBA3E Q6PEY2 5/20 0.36
TUBA1A Q71U36 5/20 0.36
TUBA1C Q9BQE3 5/20 0.36
TUBB6 Q9BUF5 5/20 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
SCHEMBL2500130 0.91 CTSA (0.37) CTSASCN9ASCN10AGRIN1GRIN2B
SCHEMBL2493706 0.90 CTSA (0.41) CTSASCN9ASCN10AGRIN1GRIN2B
SCHEMBL2502858 0.88 SCN9A (0.41) CTSASCN9ASCN10AMAP4K1TUBB4A
SCHEMBL2499318 0.88 HSP90AA1 (0.42) CTSASCN9ASCN10AMAP4K1TUBB4A
SCHEMBL2502825 0.88 CTSA (0.40) CTSASCN9ASCN10AGRIN1GRIN2B
SCHEMBL1887078 0.88 CTSA (0.45) CTSASCN9ASCN10AMAP4K1
SCHEMBL2493418 0.87 SCN9A (0.43) CTSASCN9ASCN10AGRIN1GRIN2B
SCHEMBL2495974 0.87 CTSA (0.40) CTSASCN9ASCN10AGRIN1GRIN2B
SCHEMBL2496200 0.86 SCN9A (0.40) CTSASCN9ASCN10ASYKMAP4K1
SCHEMBL2497622 0.86 TUBB4A (0.43) CTSASCN9ASCN10AGRIN1GRIN2B

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 6 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 claimed
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases NEUROSEARCH A/S (DK) 2009-09-17 US claimed
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 3719/4885SCN9A 1508/4885SCN10A 1149/4885

“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.