SCHEMBL2643398

SCHEMBL2643398

O=C(NCCC1c2ccccc2C(=O)N1Cc1ccccc1)Nc1nccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH1 P35367 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
AURKA O14965 1/20 0.43
PIM1 P11309 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 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
SCHEMBL2643610 0.87 HRH1 (0.55) UBE2MDCUN1D1SMN1; SMN2HRH1KDM4E
SCHEMBL1619375 0.80 SMN1; SMN2 (0.53) UBE2MDCUN1D1SMN1; SMN2L3MBTL1HRH1
SCHEMBL7058892 0.73 SMN1; SMN2 (0.80) SMN1; SMN2L3MBTL1KDM4EHPGDAURKA
Hydrochloric Acid SCHEMBL17186300 0.72 SMN1; SMN2 (0.78) UBE2MDCUN1D1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL1619301 0.72 CYP1A2 (0.54) SMN1; SMN2KDM4EALDH1A1GAAMAPK1
SCHEMBL2644225 0.72 KDM4E (0.54) SMN1; SMN2KDM4EALDH1A1GAANPSR1
SCHEMBL1619125 0.72 NPC1 (0.47) UBE2MDCUN1D1SMN1; SMN2L3MBTL1HRH1
SCHEMBL2645468 0.71 MEN1 (0.51) ALDH1A1GAAMAPK1TDP1NPSR1
SCHEMBL2643121 0.71 KDM4E (0.44) SMN1; SMN2L3MBTL1KDM4EALDH1A1MAPK1
SCHEMBL3510455 0.71 KDM4E (0.79) SMN1; SMN2L3MBTL1KDM4EHPGDAURKA

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 UBE2M 2796/4885DCUN1D1 2895/4885SMN1; SMN2 4510/4885

“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.