SCHEMBL4247461

SCHEMBL4247461

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
NR1H2 P55055 1/20 0.38
HNF4A P41235 1/20 0.36
KMO O15229 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
DHODH Q02127 1/20 0.35
GRM1 Q13255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL27648103 0.87 KDM4E (0.48) KDM4EHNF4AKMOALDH1A1MAPT
SCHEMBL1885886 0.83 NOTUM (0.53) KDM4ECYP3A4CYP2C9ALDH1A1MAPT
SCHEMBL1878128 0.75 SCN9A (0.49) KDM4E
SCHEMBL14692532 0.75 KDM4E (0.48) KDM4EKMO
SCHEMBL19991300 0.74 KDM4E (0.49) KDM4E
SCHEMBL20162909 0.74 KDM4E (0.49) KDM4E
SCHEMBL27655886 0.74 KDM4E (0.56) KDM4EALDH1A1
SCHEMBL2774450 0.74 KDM4E (0.49) KDM4EALDH1A1
SCHEMBL29367242 0.74 KDM4E (0.49) KDM4E
SCHEMBL27647990 0.73 MEN1 (0.52) KDM4EALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209597-A1 IMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA ALPHA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2009-08-20 US claimed

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 KDM4E 2635/4885NR1H2 712/4885HNF4A 3248/4885

“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.