SCHEMBL162354

SCHEMBL162354

CC(C)NC(=O)c1cc[nH]c1[O]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
PKM P14618 1/20 0.44
ALOX5 P09917 1/20 0.44
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
MCL1 Q07820 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MLYCD O95822 1/20 0.39
P2RX7 Q99572 2/20 0.37
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
JAK3 P52333 2/20 0.37
XDH P47989 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL15204743 0.83 MEN1 (0.55) ALDH1A1PKMKDM4EHTTMAOA
SCHEMBL165614 0.79 GAA (0.42) GAAHTT
SCHEMBL163516 0.77 HSD17B10 (0.48) ALDH1A1GAAKDM4EHTTMAOB
SCHEMBL162289 0.75 NR4A2 (0.44) ALDH1A1GAAKDM4E
SCHEMBL161190 0.74 CA12 (0.46) ALDH1A1PKMKDM4EHTT
SCHEMBL161741 0.71 L3MBTL1 (0.47) ALDH1A1GAAKDM4EHTTMAOB
SCHEMBL23984749 0.71 KEAP1 (0.58) ALDH1A1PKMKDM4EHTTMAOA
SCHEMBL13761425 0.71 DHPS (0.56) ALDH1A1KDM4EP2RX7
SCHEMBL9936673 0.70 ALDH1A1 (0.56) ALDH1A1PKMALOX5GAAKDM4E
SCHEMBL163216 0.70 ALDH1A1 (0.59) ALDH1A1KDM4EHTT

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 ALDH1A1 1667/4885PKM 742/4885ALOX5 515/4885

“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.