SCHEMBL165047

SCHEMBL165047

CC(C)NC(=O)c1cccnc1[O]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.48
PDE4A P27815 2/20 0.47
KCNH2 Q12809 2/20 0.47
ALDH1A1 P00352 4/20 0.46
PKM P14618 1/20 0.46
RIPK1 Q13546 1/20 0.44
P2RX7 Q99572 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
ATM Q13315 1/20 0.42
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 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
SCHEMBL15204566 0.84 MEN1 (0.60) ALDH1A1P2RX7L3MBTL1HPGDMAPT
SCHEMBL268777 0.83 P2RX7 (0.65) MAPK8PDE4AKCNH2ALDH1A1PKM
SCHEMBL26336039 0.83 MAPK8 (0.48) MAPK8PDE4AKCNH2ALDH1A1PKM
SCHEMBL24571401 0.81 SMN1; SMN2 (0.56) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL21209660 0.81 NAPRT (0.56) MAPK8PDE4AKCNH2ALDH1A1PKM
SCHEMBL11538360 0.81 PRKCI (0.58) MAPK8PDE4AKCNH2ALDH1A1RIPK1
SCHEMBL27986290 0.81 MAPK8 (0.47) MAPK8PDE4AKCNH2ALDH1A1PKM
SCHEMBL161745 0.80 GAA (0.48) ALDH1A1P2RX7L3MBTL1LMNAMAPT
SCHEMBL14355564 0.80 KDM4E (0.61) MAPK8PDE4AKCNH2ALDH1A1L3MBTL1
SCHEMBL23136225 0.80 MAPK8 (0.56) MAPK8PDE4AKCNH2ALDH1A1HPGD

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 MAPK8 3092/4885PDE4A 1582/4885KCNH2 1985/4885

“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.