SCHEMBL2644355

SCHEMBL2644355

CN(C)c1ccc(CN2C(=O)c3cccc(F)c3C2CCC(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 4/20 0.35
APP P05067 2/20 0.35
SNCA P37840 2/20 0.35
TDP1 Q9NUW8 3/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 1/20 0.34
RORC P51449 1/20 0.34
ATM Q13315 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL2644689 0.88 MAPT (0.43) KDM4EALDH1A1MAPTATM
SCHEMBL2644737 0.83 POLB (0.40) ALDH1A1MAPTTDP1MAPK1
SCHEMBL2644120 0.83 RORC (0.36) PARP1KDM4EALDH1A1GAAMAPT
SCHEMBL2644018 0.81 CACNA1H (0.36) KDM4EALDH1A1GAAMAPTHTT
SCHEMBL2645436 0.78 KDM4E (0.45) KDM4EALDH1A1MAPTHTTATM
SCHEMBL2644090 0.77 ALDH1A1 (0.41) KDM4EALDH1A1GAATSHRMAPT
SCHEMBL2643582 0.75 MAPT (0.40) KDM4EALDH1A1MAPTHTTATM
SCHEMBL2644694 0.73 MAPT (0.39) KDM4EALDH1A1MAPTATM
SCHEMBL2643817 0.73 HTT (0.37) MAPTHTT
SCHEMBL2645157 0.73 MAPT (0.41) KDM4EALDH1A1MAPTHTTRXFP1

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-8796313-B2 Substituted dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2014-08-05 US disclosed
CN-101316836-A Substituted dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA NV (BE) 2008-12-03 CN disclosed
US-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 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-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase GCK, GCKR, GPR119 PARP1 3545/4885KDM4E 1206/4885ALDH1A1 1552/4885

“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.