SCHEMBL160411

SCHEMBL160411

CNC(=O)c1cc([O])c2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.50
PSMD14 O00487 1/20 0.46
STAMBP O95630 1/20 0.46
COPS5 Q92905 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
BRD4 O60885 1/20 0.43
PLAU P00749 1/20 0.42
NCEH1 Q6PIU2 1/20 0.42
HPGDS O60760 1/20 0.41
NQO2 P16083 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL163477 0.87 PLK1 (0.44) PLK1PSMD14STAMBPCOPS5ALDH1A1
SCHEMBL163276 0.85 ALDH1A1 (0.51) PLK1PSMD14STAMBPCOPS5ALDH1A1
SCHEMBL160412 0.83 PLK1 (0.50) PLK1PSMD14STAMBPCOPS5ALDH1A1
SCHEMBL162794 0.82 BRD4 (0.45) ALDH1A1HPGDMAPTKDM4EHDAC8
SCHEMBL160992 0.82 NCEH1 (0.46) ALDH1A1HPGDMAPTKDM4EBRD4
SCHEMBL162355 0.82 IMPDH2 (0.47) ALDH1A1HPGDMAPTHPGDS
SCHEMBL7308184 0.80 ALDH1A1 (0.62) ALDH1A1HPGDMAPTKDM4ENPC1
SCHEMBL161737 0.80 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EHDAC2
SCHEMBL161775 0.79 ALDH1A1 (0.50) PSMD14ALDH1A1HPGDMAPTKDM4E
SCHEMBL7726969 0.79 PLK1 (0.47) PLK1ALDH1A1HPGDMAPTKDM4E

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 PLK1 1381/4885PSMD14 999/4885STAMBP 3908/4885

“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.