SCHEMBL2500104

SCHEMBL2500104

CON(C)C(=O)c1cn(-c2cccc(-c3ccccc3)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
COMT P21964 3/20 0.40
MLLT3 P42568 1/20 0.38
MLLT1 Q03111 1/20 0.38
NOTUM Q6P988 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
ESRRA P11474 1/20 0.36
USP30 Q70CQ3 1/20 0.36
OXTR P30559 1/20 0.36
TRPM8 Q7Z2W7 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
SCHEMBL2498043 0.87 TRPM8 (0.36) MLLT3MLLT1NOTUMMEN1KMT2A
SCHEMBL2495560 0.87 HTR7 (0.42) HSD17B10CYP3A4ALDH1A1HPGD
SCHEMBL2493409 0.87 SCN9A (0.45) MLLT3MLLT1NOTUMMEN1KMT2A
SCHEMBL12191255 0.85 NOTUM (0.41) MLLT3MLLT1NOTUMMEN1KMT2A
SCHEMBL2498719 0.84 MLLT3 (0.38) MLLT3MLLT1NOTUMMEN1KMT2A
SCHEMBL2501478 0.84 GABRA1 (0.43)
SCHEMBL2503114 0.84 BACE1 (0.38) TRPM8
SCHEMBL2494711 0.84 TRPM8 (0.38) MLLT3MLLT1NOTUMMEN1KMT2A
SCHEMBL2495899 0.83 NOTUM (0.37) MLLT3MLLT1NOTUMMEN1KMT2A
SCHEMBL2497672 0.83 SCN9A (0.52)

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 COMT 210/4885MLLT3 3352/4885MLLT1 2892/4885

“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.