SCHEMBL162705

SCHEMBL162705

COC(=O)c1nc([O])cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 4/20 0.37
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.33
PRKCZ Q05513 1/20 0.33
CHEK1 O14757 1/20 0.33
MET P08581 1/20 0.33
GSK3B P49841 1/20 0.33
LIMK1 P53667 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33

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
SCHEMBL129265 0.80 MAPT (0.43) ALDH1A1NPSR1KMT2AMAPTKDM4E
SCHEMBL162380 0.79 HPGDS (0.38) ALDH1A1NPSR1MAPTHSD17B10
SCHEMBL158356 0.79 CA12 (0.38) ALDH1A1NPSR1KMT2AMAPTMEN1
SCHEMBL160744 0.79 MAPT (0.49) ALDH1A1NPSR1KMT2AMAPTMEN1
SCHEMBL15319329 0.78 ALDH1A1 (0.41) ALDH1A1NPSR1KMT2AMAPTMEN1
SCHEMBL1682676 0.78 GRM5 (0.48) ALDH1A1NPSR1KMT2AMAPTMEN1
SCHEMBL129264 0.78 ALDH1A1 (0.41) ALDH1A1NPSR1KMT2AMAPTMEN1
SCHEMBL17716404 0.77 L3MBTL1 (0.50) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL16371343 0.77 MAPT (0.45) ALDH1A1NPSR1KMT2AMAPTMEN1
SCHEMBL162542 0.77 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTMEN1KDM4E

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 1667/4885NPSR1 4694/4885KMT2A 2544/4885

“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.