SCHEMBL1881909

SCHEMBL1881909

CCOC(=O)c1cn(-c2cccc(COC(C)c3ncc[nH]3)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
TBXAS1 P24557 2/20 0.37
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM5 P41594 1/20 0.35
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK13 O15264 1/20 0.33
MLLT3 P42568 1/20 0.32
MLLT1 Q03111 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL1881913 0.82 NOTUM (0.51) NOTUMGRM5GABRA2GABRB2MEN1
SCHEMBL2964600 0.79 HPGD (0.45) TBXAS1HPGDSMN1; SMN2GABRA2MEN1
SCHEMBL1880494 0.77 NOTUM (0.63) NOTUMHPGDSMN1; SMN2GRM5GABRA2
SCHEMBL9464660 0.76 NOTUM (0.62) NOTUMGABRA2GABRB2MEN1KMT2A
SCHEMBL9464564 0.75 NOTUM (0.66) NOTUMHPGDSMN1; SMN2GRM5GABRA2
SCHEMBL1885882 0.75 NOTUM (0.53) NOTUMHPGDSMN1; SMN2GABRA2GABRB2
SCHEMBL1890673 0.74 NOTUM (0.54) NOTUMHPGDSMN1; SMN2GRM5GABRA2
SCHEMBL12191258 0.74 NOTUM (0.67) NOTUMHPGDSMN1; SMN2GRM5GABRA2
SCHEMBL1881911 0.73 NOTUM (0.51) NOTUMTBXAS1HPGDSMN1; SMN2GRM5
SCHEMBL1878934 0.73 NOTUM (0.63) NOTUMGABRA2GABRB2MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939556-B2 Imidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2011-05-10 US claimed
US-20090209597-A1 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA ALPHA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2009-08-20 US claimed
US-7939556-B2 Imidazole derivatives and their use for modulating the GABAA receptor complex NEUROSEARCH A/S (DK) 2011-05-10 US disclosed
US-20090209597-A1 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA ALPHA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2009-08-20 US 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-20090209597-A1 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA ALPHA RECEPTOR COMPLEX GABRB1, GABRB2, GABRB3 NOTUM 4586/4885TBXAS1 789/4885HPGD 1384/4885

“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.