SCHEMBL1618368

SCHEMBL1618368

O=C1c2ccccc2C(O)N1Cc1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 1.00
HPGD P15428 2/20 0.60
LMNA P02545 2/20 0.60
PKM P14618 1/20 0.59
NPSR1 Q6W5P4 1/20 0.57
MCHR1 Q99705 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.45
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 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
SCHEMBL1619214 0.77 ALDH1A1 (0.62) ALDH1A1HPGDLMNAPKMNPSR1
SCHEMBL1619264 0.77 HPGD (0.68) ALDH1A1HPGDLMNAPKMNPSR1
SCHEMBL6236827 0.77 HPGD (0.68) ALDH1A1HPGDLMNAPKMNPSR1
SCHEMBL29760295 0.77 HPGD (0.68) ALDH1A1HPGDLMNAPKMNPSR1
SCHEMBL17962557 0.75 ALDH1A1 (0.60) ALDH1A1HPGDLMNANPSR1MCHR1
SCHEMBL20428077 0.75 ALDH1A1 (0.60) ALDH1A1HPGDLMNAPKML3MBTL1
SCHEMBL3752503 0.75 ALDH1A1 (0.81) ALDH1A1LMNANPSR1MCHR1MAPT
SCHEMBL19145919 0.74 ALDH1A1 (0.58) ALDH1A1HPGDLMNAPKML3MBTL1
SCHEMBL1619276 0.74 ALDH1A1 (0.58) ALDH1A1HPGDLMNANPSR1MCHR1
SCHEMBL4465439 0.73 HPGD (0.59) ALDH1A1HPGDLMNAPKML3MBTL1

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 15 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-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
EP-1951706-A1 DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-06 EP disclosed
WO-2007053662-A1 DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO 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
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 ALDH1A1 1644/4885HPGD 723/4885LMNA 4661/4885
US-20090202525-A1 DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE GCK, GCKR, GPR119 ALDH1A1 1711/4885HPGD 765/4885LMNA 4665/4885

“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.