SCHEMBL2493513

SCHEMBL2493513

O=C(c1cn(-c2cccc(-c3cccnc3Cl)c2)cn1)c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSA P10619 5/20 0.46
MGLL Q99685 7/20 0.39
PLA2G7 Q13093 1/20 0.36
SCN9A Q15858 1/20 0.33
NPC1 O15118 1/20 0.33
GRM5 P41594 1/20 0.33
MLLT3 P42568 1/20 0.33
MLLT1 Q03111 1/20 0.33
GRM4 Q14833 1/20 0.33
NOTUM Q6P988 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
SCHEMBL2503497 0.89 MGLL (0.49) CTSAMGLLPLA2G7SCN9AGRM5
SCHEMBL2496041 0.88 MGLL (0.41) CTSAMGLLPLA2G7MLLT3MLLT1
SCHEMBL2503546 0.85 CTSA (0.39) CTSASCN9ANPC1GRM5MLLT3
SCHEMBL2503097 0.84 CTSA (0.36) CTSAMGLLSCN9ANPC1MLLT3
SCHEMBL2502465 0.84 MGLL (0.45) CTSAMGLLPLA2G7MLLT3MLLT1
SCHEMBL2502794 0.83 CTSA (0.37) CTSASCN9ANPC1GRM5MLLT3
SCHEMBL2501045 0.83 GABRA1 (0.41) MGLLPLA2G7
SCHEMBL2501423 0.83 CTSA (0.40) CTSASCN9ANPC1GRM5MLLT3
SCHEMBL1887879 0.83 CTSA (0.42) CTSASCN9AMLLT3MLLT1
SCHEMBL2494453 0.82 CTSA (0.47) CTSAMGLLPLA2G7GRM5

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 8 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
EP-1937649-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2008-07-02 EP claimed
WO-2007042546-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2007-04-19 WO 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 3719/4885MGLL 4127/4885PLA2G7 4177/4885

“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.