SCHEMBL163544

SCHEMBL163544

CC(C)NC(=O)c1c[nH]nc1[O]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
ALOX5 P09917 1/20 0.40
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
JAK3 P52333 3/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
MCL1 Q07820 1/20 0.37
GAA P10253 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
SYK P43405 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
SCHEMBL166279 0.85 MEN1 (0.50) ALDH1A1PKMJAK2JAK1JAK3
SCHEMBL26332948 0.81 ALOX5 (0.40) ALDH1A1PKMALOX5JAK2JAK1
SCHEMBL162197 0.81 PLK1 (0.39) SMN1; SMN2HTTGAAADRA1DADRA1A
SCHEMBL162587 0.80 TP53 (0.44) SMN1; SMN2KDM4EHTTGAAADRA1D
SCHEMBL5951764 0.77 JAK2 (0.37) ALDH1A1PKMALOX5JAK2JAK1
SCHEMBL5952364 0.77 ALDH1A1 (0.40) ALDH1A1PKMALOX5JAK2JAK1
SCHEMBL13374016 0.77 JAK2 (0.37) ALDH1A1PKMALOX5JAK2JAK1
SCHEMBL161439 0.76 POLB (0.40) ALDH1A1SMN1; SMN2KDM4EGAASYK
SCHEMBL165475 0.75 TSHR (0.43) ALDH1A1KDM4EGAA
SCHEMBL162415 0.74 CA12 (0.42) ALDH1A1PKMCYP1A2KDM4EADRA1D

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.