SCHEMBL1885886

SCHEMBL1885886

CCOC(=O)c1cn(-c2cccc(-c3ccccc3)c2Cl)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
GABRA2 P47869 6/20 0.47
GABRB2 P47870 5/20 0.47
JMJD6 Q6NYC1 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
GRM5 P41594 1/20 0.42
CYP1A2 P05177 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL4247461 0.83 KDM4E (0.46) ALDH1A1KDM4ECYP2C9CYP3A4MAPT
SCHEMBL1886868 0.78 NOTUM (0.65) NOTUMGABRA2GABRB2JMJD6ALDH1A1
SCHEMBL14692396 0.78 NOTUM (0.59) NOTUMGABRA2GABRB2ALDH1A1LMNA
SCHEMBL29072990 0.77 NOTUM (0.54) NOTUMGABRA2GABRB2ALDH1A1LMNA
SCHEMBL1878934 0.77 NOTUM (0.63) NOTUMGABRA2GABRB2ALDH1A1CYP1A2
SCHEMBL2229747 0.77 NOTUM (0.66) NOTUMGABRA2GABRB2ALDH1A1LMNA
SCHEMBL27647990 0.76 MEN1 (0.52) ALDH1A1LMNAGRM5KDM4EMEN1
Hydrochloric Acid SCHEMBL1878932 0.76 NOTUM (0.62) NOTUMGABRA2GABRB2ALDH1A1CYP1A2
SCHEMBL1884790 0.74 NOTUM (0.60) NOTUMGABRA2GABRB2JMJD6ALDH1A1
SCHEMBL20077724 0.74 NOTUM (0.51) NOTUMGABRA2GABRB2ALDH1A1LMNA

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 2 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-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 4586/4885GABRA2 4/4885GABRB2 2/4885

“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.