SCHEMBL162827

SCHEMBL162827

CC(C)(C)NC(=O)c1ccccc1[O]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ALDH1A1 P00352 4/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.43
CYP2C9 P11712 1/20 0.43
APEX1 P27695 1/20 0.43
EPHX1 P07099 1/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL6748722 0.87 MAPT (0.61) MAPTMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL9167070 0.81 POLB (0.52) MAPTMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL26808765 0.81 KMT2A (0.55) MAPTMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL7757842 0.80 KDM4E (0.59) MAPTMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL14357551 0.80 ALDH1A1 (0.56) MAPTMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL5230905 0.80 HPGD (0.56) MAPTMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL29643318 0.80 ALDH1A1 (0.56) MAPTMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL8625434 0.79 HPGD (0.57) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6420811 0.78 GAA (0.63) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1382593 0.78 KDM4E (0.60) MAPTMEN1KMT2ASMN1; SMN2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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 (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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 MAPT 261/4885MEN1 4776/4885KMT2A 2544/4885

“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.