SCHEMBL2664347

SCHEMBL2664347

O=C(CNC1c2ccccc2C(=O)N1Cc1cccs1)Nc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.53
POLB P06746 1/20 0.53
STAT3 P40763 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ESR2 Q92731 1/20 0.53
ALDH1A1 P00352 11/20 0.52
KDM4E B2RXH2 6/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MCHR1 Q99705 1/20 0.46
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
PSMD14 O00487 1/20 0.40
GAA P10253 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
SCHEMBL1619250 0.85 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1KDM4ETDP1NPSR1
SCHEMBL1618064 0.73 ALDH1A1 (0.48) ESR1POLBSTAT3SMN1; SMN2ESR2
SCHEMBL1619182 0.72 ALDH1A1 (0.53) ESR1POLBSTAT3SMN1; SMN2ESR2
SCHEMBL2643281 0.72 SMN1; SMN2 (0.53) ESR1POLBSTAT3SMN1; SMN2ESR2
SCHEMBL1619122 0.70 GAA (0.50) SMN1; SMN2ALDH1A1KDM4ENPSR1MEN1
SCHEMBL1618368 0.70 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL1618060 0.69 ALDH1A1 (0.51) POLBSMN1; SMN2ALDH1A1TDP1NPSR1
SCHEMBL2644225 0.68 KDM4E (0.54) POLBSMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL1619077 0.68 ALDH1A1 (0.49) ESR1POLBSTAT3SMN1; SMN2ESR2
SCHEMBL2336022 0.66 KDM4E (0.50) ALDH1A1KDM4EL3MBTL1NPSR1LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928246-B2 Dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 US disclosed
US-7928246-B2 Dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 US disclosed
US-20090202525-A1 DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE BIAN HAIYAN 2009-08-13 US disclosed
US-20090202525-A1 DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE BIAN HAIYAN 2009-08-13 US disclosed
US-7531671-B2 Dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-12 US disclosed
US-7531671-B2 Dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-12 US disclosed
WO-2007053662-A1 DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed
US-20070099936-A1 Dihydroisoindolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
US-20070099936-A1 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 (2 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-20070099936-A1 Dihydroisoindolones As Allosteric Modulators Of Glucokinase GCK, GCKR, GPR119 ESR1 2089/4885POLB 3344/4885STAT3 2173/4885
US-20090202525-A1 DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE GCK, GCKR, GPR119 ESR1 2050/4885POLB 3446/4885STAT3 2149/4885

“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.