SCHEMBL15869296

SCHEMBL15869296

[2H]c1cc(NC(C)=O)c2c(c1[2H])C(=O)N(C(C)(C)C)C2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.40
MAOA P21397 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
POLB P06746 1/20 0.36
GFER P55789 1/20 0.36
CASP3 P42574 1/20 0.35
CCNE2 O96020 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL15869294 0.90 AHR (0.43) AHRMAOAALDH1A1HPGDKDM4E
SCHEMBL15869300 0.90 RAB9A (0.37) AHRMAOAALDH1A1HPGDKDM4E
SCHEMBL15869295 0.89 AHR (0.45) AHRMAOAALDH1A1HPGDKDM4E
SCHEMBL15869298 0.89 AHR (0.40) AHRMAOAALDH1A1HPGDKDM4E
SCHEMBL15869299 0.85 AHR (0.38) AHRMAOAALDH1A1HPGDKDM4E
SCHEMBL15869297 0.84 AHR (0.45) AHRMAOAALDH1A1HPGDKDM4E
SCHEMBL15869293 0.82 AHR (0.58) AHRMAOAALDH1A1HPGDKDM4E
SCHEMBL10820300 0.75 RAB9A (0.43) AHRMAOAALDH1A1HPGDKDM4E
SCHEMBL18826569 0.62 HPGD (0.71) AHRMAOAALDH1A1HPGDKDM4E
SCHEMBL16865874 0.61 MAOA (0.36) AHRMAOAALDH1A1HPGDKDM4E

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 556/4885ALDH1A1 1321/4885
US-20150258063-A1 ISOTOPOLOGUES OF ISOINDOLE DERIVATIVES IDO1, CYP11B2, IDO2 AHR 85/4885MAOA 556/4885ALDH1A1 1321/4885

“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.