SCHEMBL160412

SCHEMBL160412

CNC(=O)c1cc(O)c2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.50
NQO2 P16083 2/20 0.48
TRPM4 Q8TD43 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PTPN1 P18031 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
BRD4 O60885 1/20 0.43
PLAU P00749 1/20 0.42
PSMD14 O00487 1/20 0.42
STAMBP O95630 1/20 0.42
COPS5 Q92905 1/20 0.42
TOP1 P11387 1/20 0.42
TOP2A P11388 1/20 0.42
TOP2B Q02880 1/20 0.42

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
SCHEMBL28344151 0.84 HDAC6 (0.52) NQO2TRPM4KDM4EPTPN1HDAC8
SCHEMBL28022444 0.84 ALDH1A1 (0.50) PLK1NQO2TRPM4ALDH1A1MAPT
SCHEMBL5668127 0.83 MAPT (0.56) NQO2TRPM4ALDH1A1MAPTHPGD
SCHEMBL160411 0.83 PLK1 (0.50) PLK1NQO2ALDH1A1MAPTHPGD
SCHEMBL162795 0.82 BRD4 (0.45) NQO2TRPM4ALDH1A1MAPTHPGD
SCHEMBL162356 0.82 IMPDH2 (0.47) NQO2TRPM4ALDH1A1MAPTHPGD
SCHEMBL160993 0.82 ERN1 (0.46) NQO2TRPM4ALDH1A1MAPTHPGD
SCHEMBL7308187 0.80 MAPT (0.62) NQO2TRPM4ALDH1A1MAPTHPGD
SCHEMBL11789948 0.80 TOP1 (0.54) NQO2MAPTHPGDKDM4ENPC1
SCHEMBL161738 0.80 KDM4E (0.56) ALDH1A1HPGDKDM4E

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 1381/4885NQO2 2974/4885TRPM4 2726/4885

“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.