SCHEMBL2495968

SCHEMBL2495968

COCNC(=O)c1cn(-c2cccc(-c3c(F)cccc3OC)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.43
SCN9A Q15858 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
CTSA P10619 6/20 0.41
MLLT3 P42568 1/20 0.38
MLLT1 Q03111 1/20 0.38
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
HIF1A Q16665 1/20 0.37
MAP4K1 Q92918 2/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL2494698 0.88 USP30 (0.42) USP30SCN9ASCN10ACTSAMLLT3
SCHEMBL2498107 0.86 USP30 (0.42) USP30SCN9ASCN10ACTSAMLLT3
SCHEMBL2495556 0.85 USP30 (0.47) USP30SCN9AMLLT3MLLT1HIF1A
SCHEMBL1887078 0.85 CTSA (0.45) SCN9ASCN10ACTSAMAP4K1
SCHEMBL2497595 0.85 USP30 (0.43) USP30SCN9ACTSAMLLT3MLLT1
SCHEMBL2493418 0.84 SCN9A (0.43) SCN9ASCN10ACTSAGRIN1GRIN2B
SCHEMBL2500100 0.83 USP30 (0.46) USP30MLLT3MLLT1PSEN1PSEN2
SCHEMBL1881119 0.83 NOTUM (0.53) SCN9ASCN10ACTSAMAP4K1
SCHEMBL2498039 0.82 USP30 (0.45) USP30CTSAMLLT3MLLT1
SCHEMBL2499318 0.82 HSP90AA1 (0.42) SCN9ASCN10ACTSAMAP4K1PSEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 USP30 1636/4885SCN9A 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.