SCHEMBL2495895

SCHEMBL2495895

COCNC(=O)c1cn(-c2cccc(-c3cccnc3Cl)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.42
MLLT3 P42568 1/20 0.38
MLLT1 Q03111 1/20 0.38
NOTUM Q6P988 1/20 0.38
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CTSA P10619 1/20 0.36
SCN9A Q15858 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM5 P41594 1/20 0.35
MAPT P10636 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
NTRK1 P04629 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DGAT2 Q96PD7 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
SCHEMBL2503104 0.89 GSK3B (0.42) USP30MLLT3MLLT1SCN9ANTRK1
SCHEMBL2493404 0.88 SCN9A (0.44) USP30MLLT3MLLT1NOTUMTP53
SCHEMBL2495556 0.84 USP30 (0.47) USP30MLLT3MLLT1SCN9ARAB9A
SCHEMBL2500100 0.84 USP30 (0.46) USP30MLLT3MLLT1NOTUMTP53
SCHEMBL2497595 0.82 USP30 (0.43) USP30MLLT3MLLT1CTSASCN9A
SCHEMBL2501473 0.82 USP30 (0.47) USP30MLLT3MLLT1
SCHEMBL1887879 0.81 CTSA (0.42) MLLT3MLLT1CTSASCN9ASMN1; SMN2
SCHEMBL2501423 0.81 CTSA (0.40) MLLT3MLLT1NOTUMCTSASCN9A
SCHEMBL1884790 0.81 NOTUM (0.60) NOTUMCTSASCN9AGRM5MAPT
SCHEMBL2495899 0.80 NOTUM (0.37) USP30MLLT3MLLT1NOTUMRXFP1

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 USP30 1636/4885MLLT3 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.