SCHEMBL7818784

SCHEMBL7818784

CC(=O)Nc1cccc2c1C(=O)c1ccccc1-2

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.87
CASP3 P42574 1/20 0.65
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 3/20 0.59
GAA P10253 2/20 0.59
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.59
PTPRC P08575 1/20 0.57
PTPN13 Q12923 1/20 0.57
CCNE2 O96020 5/20 0.56
CCNE1 P24864 5/20 0.56
CDK2 P24941 5/20 0.56
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
CDK4 P11802 1/20 0.54
CCND1 P24385 1/20 0.54
EGFR P00533 1/20 0.54
PABPC1 P11940 1/20 0.54

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
SCHEMBL2601918 0.93 MAOA (1.00) MAOACASP3ALDH1A1KDM4EGAA
SCHEMBL20334273 0.91 MAOA (0.90) MAOACASP3ALDH1A1KDM4EGAA
SCHEMBL6370986 0.87 MAOA (0.77) MAOACASP3ALDH1A1KDM4EGAA
SCHEMBL13564105 0.86 MAOA (0.71) MAOACASP3ALDH1A1KDM4EGAA
SCHEMBL5051010 0.86 MAOA (0.87) MAOACASP3ALDH1A1KDM4EGAA
SCHEMBL29986841 0.86 MAOA (0.87) MAOACASP3ALDH1A1KDM4EGAA
SCHEMBL11656337 0.85 MAOA (0.64) MAOACASP3ALDH1A1KDM4EGAA
SCHEMBL20892849 0.83 MAOA (0.62) MAOAALDH1A1KDM4EGAAPTPRC
SCHEMBL20978637 0.82 MAOA (0.79) MAOACASP3ALDH1A1KDM4EGAA
SCHEMBL9846483 0.82 MAOA (0.74) MAOACASP3ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308607-B2 Fucosidase inhibitors HORIZON ORPHAN LLC (US) 2019-06-04 US disclosed
US-9951013-B2 Fucosidase inhibitors HORIZON ORPHAN LLC (US) 2018-04-24 US disclosed
US-20170029376-A1 FUCOSIDASE INHIBITORS RAPTOR PHARMACEUTICALS INC. (US) 2017-02-02 US disclosed
EP-1066257-A2 HETEROCYLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE Sugen, Inc. (US) 2001-01-10 EP disclosed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO disclosed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 WO 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-20170029376-A1 FUCOSIDASE INHIBITORS FUCA1, FUCA2, ENGASE MAOA 962/4885CASP3 3176/4885ALDH1A1 588/4885
US-10308607-B2 Fucosidase inhibitors FUCA1, FUCA2, ENGASE MAOA 962/4885CASP3 3176/4885ALDH1A1 588/4885

“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.