SCHEMBL2495463

SCHEMBL2495463

O=C(Cl)c1cn(-c2cccc(-c3c(F)ccnc3F)c2)cn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MLLT3 P42568 1/20 0.37
MLLT1 Q03111 1/20 0.37
SCN9A Q15858 3/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
NOTUM Q6P988 1/20 0.34
MAP3K5 Q99683 3/20 0.34
GRM5 P41594 1/20 0.33
KDM4E B2RXH2 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL1886019 0.89 KDM4E (0.41) MLLT3MLLT1KDM4E
SCHEMBL2493245 0.86 MLLT3 (0.36) MLLT3MLLT1SCN9ASCN10ANOTUM
SCHEMBL2497581 0.84 HSD17B14 (0.39) MLLT3MLLT1SCN9ASCN10AGRM5
SCHEMBL2497610 0.84 SCN9A (0.35) MLLT3MLLT1SCN9ASCN10AGRM5
SCHEMBL2493511 0.84 CYP11B2 (0.38) MLLT3MLLT1SCN9ANOTUM
SCHEMBL2498898 0.84 KDM4C (0.36) MLLT3MLLT1SCN9ASCN10AGRM5
SCHEMBL2497645 0.83 DHFR (0.39) MLLT3MLLT1NOTUMMAP3K5GRM5
SCHEMBL1877848 0.83 NOTUM (0.54) SCN9ANOTUMGRM5
SCHEMBL2493286 0.83 MGLL (0.34) MLLT3MLLT1SCN9ASCN10A
SCHEMBL2494711 0.83 TRPM8 (0.38) MLLT3MLLT1SCN9ASCN10ANOTUM

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 MLLT3 3352/4885MLLT1 2892/4885SCN9A 1508/4885

“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.