SCHEMBL838851

SCHEMBL838851

CC(=O)c1cc(C)cc(C(=O)NN)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPT P10636 5/20 0.48
GAA P10253 3/20 0.48
BLM P54132 2/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 2/20 0.48
NSD2 O96028 1/20 0.48
ALPL P05186 1/20 0.48
ALPI P09923 1/20 0.48
ALPG P10696 1/20 0.48
APEX1 P27695 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
CASP6 P55212 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MPO P05164 2/20 0.41
CYP3A4 P08684 2/20 0.41
KDM5A P29375 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
SCHEMBL31148957 0.92 KDM4E (0.56) KDM4EALDH1A1MAPTGAABLM
SCHEMBL6151752 0.87 KDM4E (0.56) KDM4EALDH1A1MAPTGAABLM
SCHEMBL2624954 0.82 TPMT (0.55) MAPTLMNAL3MBTL1TDP1TPMT
SCHEMBL1893743 0.80 KDM4E (0.68) KDM4EALDH1A1MAPTGAABLM
SCHEMBL95695 0.78 TPMT (0.62) ALDH1A1MAPTLMNATDP1TPMT
SCHEMBL5452318 0.74 MPO (0.64) KDM4EALDH1A1MAPTBLMLMNA
SCHEMBL12355763 0.74 KDM4E (0.56) KDM4EALDH1A1MAPTGAABLM
SCHEMBL838335 0.74 TPMT (0.73) KDM4EALDH1A1MAPTLMNATDP1
SCHEMBL27633372 0.73 TPMT (0.41) MAPTLMNATDP1TPMTCA5A
SCHEMBL3351858 0.73 ATM (0.53) KDM4EALDH1A1MAPTGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143405-B2 Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp (US) 2012-03-27 US disclosed
US-20100041667-A1 Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2010-02-18 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 (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-20100041667-A1 Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease BACE1, BACE2, PSEN1 KDM4E 1496/4885ALDH1A1 624/4885MAPT 68/4885

“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.