SCHEMBL5464640

SCHEMBL5464640

COc1ccc(CN2C(=O)C3=C(CCCC3)C2SCC(=O)c2nccs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.42
KDM4E B2RXH2 2/20 0.39
HKDC1 Q2TB90 1/20 0.39
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PLA2G4A P47712 2/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
RBBP9 O75884 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ERCC5 P28715 1/20 0.35
SNCA P37840 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 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
SCHEMBL2666712 0.85 NPC1 (0.48) ALDH1A1KMT2AMEN1POLB
SCHEMBL5457165 0.82 ALDH1A1 (0.44) KDM4EHKDC1HCRTR1HCRTR2ALDH1A1
SCHEMBL5459715 0.81 ALDH1A1 (0.43) KDM4EHKDC1HCRTR1HCRTR2ALDH1A1
SCHEMBL2666711 0.79 ALDH1A1 (0.45) KDM4EHKDC1HCRTR1HCRTR2ALDH1A1
SCHEMBL2643297 0.79 PRKAA2 (0.40) KDM4EALDH1A1POLBL3MBTL1
SCHEMBL2666573 0.78 ALDH1A1 (0.45) KDM4EHKDC1HCRTR1HCRTR2ALDH1A1
SCHEMBL2666548 0.75 LMNA (0.55) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL2666614 0.74 POLB (0.48) ALDH1A1KMT2AMEN1POLB
SCHEMBL2656449 0.74 TSHR (0.38) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL2666710 0.74 MAPK1 (0.40) KDM4EALDH1A1KMT2AMEN1POLB

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-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 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-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase GCKR, GCK, GALK1 AHR 3250/4885KDM4E 1627/4885HKDC1 166/4885

“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.