SCHEMBL1890673

SCHEMBL1890673

CCOC(=O)c1cn(-c2cccc(CO[Si](C)(C)C(C)(C)C)c2)cn1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.38
GABRA2 P47869 4/20 0.37
GABRB2 P47870 4/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GRM5 P41594 1/20 0.36
GAA P10253 3/20 0.36
MLLT3 P42568 1/20 0.36
MLLT1 Q03111 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CPB2 Q96IY4 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
SCHEMBL1880494 0.82 NOTUM (0.63) NOTUMSMN1; SMN2HPGDCYP1A2GABRA2
SCHEMBL8244182 0.81 NOTUM (0.53) NOTUMSMN1; SMN2HPGDCYP1A2GABRA2
SCHEMBL9464564 0.80 NOTUM (0.66) NOTUMSMN1; SMN2HPGDCYP1A2GABRA2
SCHEMBL12191258 0.79 NOTUM (0.67) NOTUMSMN1; SMN2HPGDCYP1A2GABRA2
SCHEMBL1878934 0.78 NOTUM (0.63) NOTUMCYP1A2GABRA2GABRB2ALDH1A1
SCHEMBL1885882 0.78 NOTUM (0.53) NOTUMSMN1; SMN2HPGDCYP1A2GABRA2
SCHEMBL9827734 0.78 NOTUM (0.73) NOTUMSMN1; SMN2CYP1A2GABRA2GABRB2
Hydrochloric Acid SCHEMBL1878932 0.77 NOTUM (0.62) NOTUMCYP1A2GABRA2GABRB2ALDH1A1
SCHEMBL1881082 0.77 NOTUM (0.65) NOTUMSMN1; SMN2CYP1A2GABRA2GABRB2
SCHEMBL12214546 0.77 NOTUM (0.65) NOTUMSMN1; SMN2HPGDCYP1A2GABRA2

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 disclosed
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
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 4586/4885SMN1; SMN2 2845/4885HPGD 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.