SCHEMBL2643612

SCHEMBL2643612

COc1ccc(CN2C(=O)c3ccccc3C2CCC(=O)Nc2ccc(C(=O)O)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
FFAR1 O14842 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
SCN9A Q15858 1/20 0.41
RAB9A P51151 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
IDO1 P14902 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
SCHEMBL2645413 0.93 TSHR (0.43) GAAALDH1A1HTTNPSR1TSHR
SCHEMBL2643716 0.91 ALDH1A1 (0.52) GAAALDH1A1HTTNPSR1TSHR
SCHEMBL2643810 0.89 MAPT (0.49) GAAALDH1A1HTTNPSR1KDM4E
SCHEMBL2643494 0.88 GAA (0.48) GAAALDH1A1HTTNPSR1TSHR
SCHEMBL2664947 0.87 KDM4E (0.44) GAAALDH1A1HTTNPSR1KDM4E
SCHEMBL1618842 0.85 ALDH1A1 (0.42) GAAALDH1A1HTTNPSR1TSHR
SCHEMBL2643221 0.81 MAPT (0.50) GAAALDH1A1HTTNPSR1KDM4E
SCHEMBL2643718 0.81 MEN1 (0.49) GAAALDH1A1KDM4EHKDC1FFAR1
SCHEMBL15925793 0.78 HTT (0.42) HTTMEN1KMT2ARAB9AHDAC6
SCHEMBL2643590 0.78 MAPT (0.40) GAAALDH1A1HTTNPSR1TSHR

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 12 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 claimed
EP-1960385-A1 SUBSTITUTED DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-27 EP claimed
WO-2007053503-A1 SUBSTITUTED DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO claimed
US-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US claimed
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
EP-1960385-A1 SUBSTITUTED DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-27 EP disclosed
WO-2007053503-A1 SUBSTITUTED DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO 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 GAA 236/4885ALDH1A1 1552/4885HTT 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.