SCHEMBL161919

SCHEMBL161919

CC(C)NC(=O)c1ccnnc1[O]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
PDE4A P27815 1/20 0.39
KCNH2 Q12809 1/20 0.39
GAA P10253 1/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MLYCD O95822 1/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
CHRM2 P08172 1/20 0.35
GRM5 P41594 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL161246 0.84 MEN1 (0.53) ALDH1A1PKMADRA1AMAOAMAOB
SCHEMBL161696 0.80 GAA (0.40) GAAADRA1DADRA1AADRA1BTSHR
SCHEMBL162468 0.79 KMT2A (0.45) ALDH1A1GAAADRA1DADRA1AADRA1B
SCHEMBL162113 0.77 KDM4E (0.47) ALDH1A1GAATSHRCASP1KDM4E
SCHEMBL165047 0.76 MAPK8 (0.48) ALOX5ALDH1A1PKMPDE4AKCNH2
SCHEMBL163192 0.76 POLB (0.42) ALDH1A1GAAMAOAMAOBTSHR
SCHEMBL163082 0.73 POLB (0.49) ALDH1A1GAAADRA1DADRA1AADRA1B
SCHEMBL162981 0.72 ALDH1A1 (0.56) ALDH1A1GAAADRA1DADRA1AADRA1B
SCHEMBL161825 0.71 KDM5B (0.46) ALDH1A1ALOX15TSHRCASP1KDM4E
SCHEMBL20905297 0.70 P2RX7 (0.61) ALDH1A1PDE4AKCNH2ALOX15TSHR

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

“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.