SCHEMBL5576875

SCHEMBL5576875

CCOC(=O)c1c(O)c2ccc(Br)cc2c(=O)n1CC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 4/20 0.46
ATM Q13315 1/20 0.46
LMNA P02545 2/20 0.42
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRB2 P47870 1/20 0.41
ELANE P08246 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPK8 P45983 5/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL5238679 0.95 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTATMLMNA
SCHEMBL5235788 0.88 KDM4E (0.41) ALDH1A1SMN1; SMN2MAPTLMNAELANE
SCHEMBL5233862 0.86 KDM4E (0.40) ALDH1A1SMN1; SMN2MAPTLMNAELANE
SCHEMBL5576489 0.84 EGLN1 (0.41) ALDH1A1SMN1; SMN2MAPK8
SCHEMBL5276033 0.84 KDM4E (0.52) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL5235750 0.84 ADORA3 (0.40) ALDH1A1MAPTKDM4E
SCHEMBL5230998 0.84 KDM4E (0.41) ALDH1A1SMN1; SMN2MAPTLMNAELANE
SCHEMBL5236394 0.84 KDM4E (0.46) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL5237473 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL5238775 0.82 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2MAPTATMLMNA

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-20070117840-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US claimed
EP-1604983-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP claimed
US-20070117840-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
EP-1604983-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP 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 (1 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-20070117840-A1 Receptor antagonist FSHR, NR4A1, GHRHR ALDH1A1 2961/4885SMN1; SMN2 3823/4885MAPT 4733/4885

“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.