SCHEMBL4938372

SCHEMBL4938372

OCc1cccc(Oc2cccnc2)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
TDP1 Q9NUW8 1/20 0.68
TRPV6 Q9H1D0 1/20 0.52
CYP19A1 P11511 4/20 0.49
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CETP P11597 1/20 0.46
HTT P42858 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
PRKCI P41743 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43

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
SCHEMBL103152 0.83 LMNA (0.68) LMNATDP1TRPV6CYP19A1ALDH1A1
SCHEMBL16301357 0.83 LMNA (0.68) LMNATDP1TRPV6CYP19A1ALDH1A1
SCHEMBL28824364 0.83 LMNA (0.68) LMNATDP1TRPV6CYP19A1ALDH1A1
SCHEMBL6201445 0.81 LMNA (0.64) LMNATDP1TRPV6CYP19A1ALDH1A1
SCHEMBL27209667 0.80 GAA (0.46) LMNATDP1TRPV6ALDH1A1SMN1; SMN2
SCHEMBL22910536 0.80 LMNA (0.62) LMNATDP1TRPV6CYP19A1ALDH1A1
SCHEMBL10544332 0.80 LMNA (0.62) LMNATDP1TRPV6CYP19A1ALDH1A1
SCHEMBL10549969 0.80 LMNA (0.62) LMNATDP1TRPV6CYP19A1ALDH1A1
SCHEMBL10223959 0.80 LMNA (0.62) LMNATDP1TRPV6CYP19A1ALDH1A1
SCHEMBL358425 0.78 LTA4H (0.67) TDP1ALDH1A1SMN1; SMN2HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-11-27 US disclosed
EP-1773774-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-04-18 EP disclosed
WO-2006014918-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-02-09 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-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors GRM2, GRM1, GRIK2 LMNA 4846/4885TDP1 3492/4885TRPV6 670/4885

“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.