SCHEMBL1618951

SCHEMBL1618951

O=C(CSC1c2ccccc2C(=O)N1Cc1ccc2sccc2c1)Nc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL2666668 0.85 HCRTR1 (0.39) KDM4EMEN1KMT2ATP53USP2
SCHEMBL1619404 0.83 ALDH1A1 (0.49) MEN1KMT2ATP53HPGDHSD17B10
SCHEMBL1619123 0.82 TP53 (0.46) KDM4EMEN1KMT2ATP53HSD17B10
SCHEMBL1617826 0.81 HPGD (0.55) KDM4EMEN1KMT2AHPGDHSD17B10
SCHEMBL1619379 0.80 KDM4E (0.41) KDM4EMEN1KMT2ATP53TDP1
SCHEMBL1619405 0.80 KDM4E (0.49) KDM4EHPGDHSD17B10TDP1SMN1; SMN2
SCHEMBL1619176 0.80 RAB9A (0.39) KDM4EMEN1KMT2ATP53USP2
SCHEMBL1619203 0.80 CHRM1 (0.43) KDM4EMEN1KMT2ATDP1GLA
SCHEMBL5456554 0.79 KMT2A (0.37) KDM4EMEN1KMT2ATP53USP2
SCHEMBL2668397 0.79 KDM4E (0.38) KDM4ETP53TDP1GLASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531671-B2 Dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-12 US claimed
US-20070099936-A1 Dihydroisoindolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US claimed
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-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-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
US-7531671-B2 Dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-12 US 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
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 KDM4E 1328/4885MEN1 4197/4885KMT2A 2352/4885
US-20090202525-A1 DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE GCK, GCKR, GPR119 KDM4E 1335/4885MEN1 4167/4885KMT2A 2275/4885

“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.