SCHEMBL163283

SCHEMBL163283

CC(C)(C)NC(=O)c1ccc2cc3ccccc3cc2c1[O]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
KDM4E B2RXH2 3/20 0.43
POLB P06746 3/20 0.43
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AURKA O14965 1/20 0.39
LCK P06239 1/20 0.39
MET P08581 1/20 0.39
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
ANO1 Q5XXA6 1/20 0.38
APEX1 P27695 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
RIPK1 Q13546 1/20 0.37

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
SCHEMBL161966 0.86 KDM4E (0.49) MAOAMAOBKDM4EPOLBMAPT
SCHEMBL162966 0.83 PLK1 (0.51) KDM4EALDH1A1GAA
SCHEMBL158637 0.82 KDM4E (0.46) MAOAMAOBKDM4EPOLBALDH1A1
SCHEMBL163431 0.79 KMT2A (0.46) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL161664 0.79 MAOA (0.48) MAOAMAOBKDM4EALDH1A1GAA
SCHEMBL161852 0.77 ALDH1A1 (0.50) MAOBKDM4EPOLBALDH1A1GAA
SCHEMBL165293 0.77 ALDH1A1 (0.51) KDM4EPOLBALDH1A1GAAMAPT
SCHEMBL163512 0.77 ALDH1A1 (0.41) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL162648 0.76 KMT2A (0.51) MAOAMAOBKDM4EPOLBALDH1A1
SCHEMBL161027 0.76 WDR5 (0.52) KDM4EPOLBALDH1A1GAAMAPT

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 MAOA 1531/4885MAOB 1218/4885KDM4E 2214/4885

“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.