SCHEMBL2496041

SCHEMBL2496041

O=C(c1cn(-c2cccc(-c3cccnc3F)c2)cn1)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.41
BACE1 P56817 6/20 0.36
BACE2 Q9Y5Z0 6/20 0.36
CTSD P07339 5/20 0.36
PLA2G7 Q13093 1/20 0.36
CTSA P10619 2/20 0.33
MLLT3 P42568 1/20 0.33
MLLT1 Q03111 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL2493513 0.88 CTSA (0.46) MGLLPLA2G7CTSAMLLT3MLLT1
SCHEMBL2493286 0.87 MGLL (0.34) MGLLPLA2G7CTSAMLLT3MLLT1
SCHEMBL2501417 0.85 BACE1 (0.37) BACE1BACE2CTSDMLLT3MLLT1
SCHEMBL2503497 0.85 MGLL (0.49) MGLLPLA2G7CTSA
SCHEMBL2493492 0.84 CTSA (0.36) BACE1BACE2CTSDCTSA
SCHEMBL2499279 0.84 CTSA (0.47) MGLLPLA2G7CTSAMLLT3MLLT1
SCHEMBL2502844 0.84 HSD17B14 (0.38) BACE1BACE2CTSDMLLT3MLLT1
SCHEMBL2502465 0.84 MGLL (0.45) MGLLPLA2G7CTSAMLLT3MLLT1
SCHEMBL2496589 0.84 CTSA (0.49) MGLLCTSA
SCHEMBL2501045 0.83 GABRA1 (0.41) MGLLPLA2G7

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 MGLL 4127/4885BACE1 1809/4885BACE2 1934/4885

“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.