SCHEMBL2643716

SCHEMBL2643716

O=C(CCC1c2ccccc2C(=O)N1Cc1ccccc1)Nc1ccc(C(=O)O)cn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HCAR3 P49019 1/20 0.43
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MDM2 Q00987 3/20 0.41
GCK P35557 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL2643810 0.94 MAPT (0.49) ALDH1A1GAAHTTNPSR1HCAR3
SCHEMBL2643612 0.91 GAA (0.44) ALDH1A1GAAHTTNPSR1TSHR
SCHEMBL2643494 0.91 GAA (0.48) ALDH1A1GAAHTTNPSR1LMNA
SCHEMBL2644225 0.86 KDM4E (0.54) ALDH1A1GAAHTTNPSR1SMN1; SMN2
SCHEMBL2643221 0.85 MAPT (0.50) ALDH1A1GAAHTTNPSR1LMNA
SCHEMBL2645413 0.84 TSHR (0.43) ALDH1A1GAAHTTNPSR1TSHR
SCHEMBL1617959 0.83 ALDH1A1 (0.50) ALDH1A1GAAHTTNPSR1TSHR
SCHEMBL2643590 0.82 MAPT (0.40) ALDH1A1GAAHTTNPSR1TSHR
SCHEMBL2643593 0.82 MAPT (0.40) ALDH1A1GAAHTTNPSR1TSHR
SCHEMBL2643302 0.81 MAPT (0.38) ALDH1A1LMNATSHRL3MBTL1HCAR3

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 7 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
US-8796313-B2 Substituted dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2014-08-05 US disclosed
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
US-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US 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 ALDH1A1 1552/4885GAA 236/4885HTT 3123/4885

“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.