SCHEMBL2493511

SCHEMBL2493511

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.38
BACE1 P56817 13/20 0.37
BACE2 Q9Y5Z0 12/20 0.37
CTSD P07339 11/20 0.37
MLLT3 P42568 1/20 0.37
MLLT1 Q03111 1/20 0.37
DHODH Q02127 1/20 0.35
SCN9A Q15858 1/20 0.35
NOTUM Q6P988 1/20 0.34

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
SCHEMBL1887383 0.89 KDM4E (0.41) BACE1BACE2CTSDMLLT3MLLT1
SCHEMBL2501417 0.87 BACE1 (0.37) CYP11B2BACE1BACE2CTSDMLLT3
SCHEMBL2501423 0.87 CTSA (0.40) MLLT3MLLT1DHODHSCN9ANOTUM
SCHEMBL2502844 0.86 HSD17B14 (0.38) BACE1BACE2CTSDMLLT3MLLT1
SCHEMBL2498070 0.84 BACE1 (0.35) BACE1BACE2CTSDMLLT3MLLT1
SCHEMBL2495463 0.84 MLLT3 (0.37) MLLT3MLLT1SCN9ANOTUM
SCHEMBL2498722 0.84 GRM5 (0.36) BACE1BACE2CTSDMLLT3MLLT1
SCHEMBL1883712 0.83 NOTUM (0.54) BACE1BACE2CTSDSCN9ANOTUM
SCHEMBL2496594 0.83 BACE1 (0.36) BACE1BACE2CTSDMLLT3MLLT1
SCHEMBL2503114 0.83 BACE1 (0.38) BACE1BACE2CTSD

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-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
CN-101282942-A Imidazole derivatives for the treatment of anxiety and related diseases NEUROSEARCH AS (DK) 2008-10-08 CN 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 CYP11B2 135/4885BACE1 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.