SCHEMBL15869293

SCHEMBL15869293

CC(=O)Nc1cccc2c1C(=O)N(C(C)(C)C)C2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.58
MAOA P21397 1/20 0.54
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 3/20 0.52
GAA P10253 3/20 0.52
HSD17B10 Q99714 2/20 0.52
CASP3 P42574 1/20 0.50
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
CCNE2 O96020 5/20 0.48
CCNE1 P24864 5/20 0.48
CDK2 P24941 5/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL15869297 0.87 AHR (0.45) AHRMAOAKDM4EALDH1A1HPGD
SCHEMBL15869295 0.87 AHR (0.45) AHRMAOAKDM4EALDH1A1HPGD
SCHEMBL15869294 0.86 AHR (0.43) AHRMAOAKDM4EALDH1A1HPGD
SCHEMBL15869298 0.82 AHR (0.40) AHRMAOAKDM4EALDH1A1HPGD
SCHEMBL15869296 0.82 AHR (0.40) AHRMAOAKDM4EALDH1A1HPGD
SCHEMBL18826569 0.80 HPGD (0.71) AHRMAOAKDM4EALDH1A1HPGD
SCHEMBL15869299 0.80 AHR (0.38) AHRMAOAKDM4EALDH1A1HPGD
SCHEMBL10820300 0.78 RAB9A (0.43) AHRMAOAKDM4EALDH1A1HPGD
SCHEMBL15869300 0.77 RAB9A (0.37) AHRMAOAKDM4EALDH1A1HPGD
SCHEMBL11437146 0.77 AHR (0.58) AHRMAOAKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9642836-B2 Isotopologues of isoindole derivatives CELGENE CORPORATION (US) 2017-05-09 US disclosed
US-20150258063-A1 ISOTOPOLOGUES OF ISOINDOLE DERIVATIVES AMGEN INC. 2015-09-17 US disclosed
US-9045417-B2 Isotopologues of isoindole derivatives CELGENE CORPORATION (US) 2015-06-02 US disclosed
US-20140194485-A1 ISOTOPOLOGUES OF ISOINDOLE DERIVATIVES CELGENE CORPORATION (US) 2014-07-10 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-20140194485-A1 ISOTOPOLOGUES OF ISOINDOLE DERIVATIVES IDO1, CYP11B2, IDO2 AHR 85/4885MAOA 556/4885KDM4E 2562/4885
US-20150258063-A1 ISOTOPOLOGUES OF ISOINDOLE DERIVATIVES IDO1, CYP11B2, IDO2 AHR 85/4885MAOA 556/4885KDM4E 2562/4885

“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.