SCHEMBL705018

SCHEMBL705018

[2H]C([2H])([2H])C(=O)Nc1cccc2c1C(=O)OC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
HPGD P15428 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CASP3 P42574 1/20 0.46
AHR P35869 1/20 0.41
CCNE2 O96020 6/20 0.40
CCNE1 P24864 6/20 0.40
CDK2 P24941 6/20 0.40
TERT O14746 5/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MAPT P10636 1/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL17580121 0.91 MAOA (0.49) MAOAHPGDKDM4EALDH1A1GAA
SCHEMBL303302 0.89 MAOA (0.61) MAOAHPGDKDM4EALDH1A1GAA
SCHEMBL29860722 0.89 MAOA (0.61) MAOAHPGDKDM4EALDH1A1GAA
SCHEMBL15580925 0.89 MAOA (0.61) MAOAHPGDKDM4EALDH1A1GAA
SCHEMBL17590085 0.78 MAOA (0.44) MAOAHPGDKDM4EALDH1A1GAA
SCHEMBL15444503 0.76 MAOA (0.43) MAOAHPGDKDM4EALDH1A1GAA
SCHEMBL18328582 0.76 CA1 (0.43) MAOAHPGDKDM4EALDH1A1GAA
SCHEMBL15452132 0.74 TDP1 (0.48) MAOAHPGDKDM4EALDH1A1GAA
SCHEMBL3828974 0.72 MAOA (0.51) MAOAHPGDKDM4EALDH1A1GAA
SCHEMBL20693192 0.71 TDP1 (0.38) MAOAHPGDKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264524-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS INC (US) 2016-09-15 US disclosed
US-9296689-B2 Substituted isoindoline-1,3-dione derivatives CONCERT PHARMACEUTICALS, INC. (US) 2016-03-29 US disclosed
US-20150105438-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2015-04-16 US disclosed
US-8883843-B2 Substituted isoindoline-1,3-dione derivatives CONCERT PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-20130345282-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2013-12-26 US disclosed
US-8404737-B2 Substituted isoindoline-1,3-dione derivatives CONCERT PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-20120252864-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS INC. 2012-10-04 US disclosed
US-8124646-B2 Substituted isoindoline-1,3-dione derivatives CONCERT PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-8124646-B2 Substituted isoindoline-1,3-dione derivatives CONCERT PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-20100324108-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS INC. 2010-12-23 US disclosed
US-20100324108-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES CONCERT PHARMACEUTICALS INC. 2010-12-23 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 (5 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-20130345282-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D MAOA 517/4885HPGD 171/4885KDM4E 2611/4885
US-20120252864-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D MAOA 517/4885HPGD 171/4885KDM4E 2611/4885
US-20160264524-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D MAOA 517/4885HPGD 171/4885KDM4E 2611/4885
US-20150105438-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D MAOA 517/4885HPGD 171/4885KDM4E 2611/4885
US-20100324108-A1 SUBSTITUTED ISOINDOLINE-1,3-DIONE DERIVATIVES QDPR, IDO1, ADRA1D MAOA 517/4885HPGD 171/4885KDM4E 2611/4885

“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.