SCHEMBL162243

SCHEMBL162243

COC(=O)c1nccnc1[O]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 4/20 0.37
KDM4C Q9H3R0 2/20 0.37
MAPK1 P28482 2/20 0.37
KDM6B O15054 1/20 0.37
KDM5C P41229 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
KDM3A Q9Y4C1 1/20 0.37
STAT3 P40763 1/20 0.37
HIF1A Q16665 1/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PSMD14 O00487 1/20 0.36
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAP2K1 Q02750 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
SCHEMBL71518 0.86 NPSR1 (0.59) L3MBTL1NPSR1KDM4EALDH1A1KDM4C
SCHEMBL9632764 0.80 NPSR1 (0.52) L3MBTL1NPSR1KDM4EALDH1A1KDM4C
SCHEMBL31027302 0.78 KDM4E (0.58) L3MBTL1NPSR1KDM4EALDH1A1KDM4C
SCHEMBL29409978 0.78 NPSR1 (0.50) L3MBTL1NPSR1KDM4EALDH1A1KDM4C
SCHEMBL361255 0.78 KDM4E (0.58) L3MBTL1NPSR1KDM4EALDH1A1KDM4C
SCHEMBL871602 0.78 NPSR1 (0.50) L3MBTL1NPSR1KDM4EALDH1A1KDM4C
SCHEMBL360639 0.78 NPSR1 (0.50) L3MBTL1NPSR1KDM4EALDH1A1KDM4C
SCHEMBL162744 0.78 ALDH1A1 (0.37) L3MBTL1NPSR1ALDH1A1
SCHEMBL162731 0.78 CA12 (0.40) NPSR1KDM4EALDH1A1MAPT
SCHEMBL159285 0.78 BRD4 (0.50) L3MBTL1NPSR1KDM4EALDH1A1MAPK1

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 L3MBTL1 1654/4885NPSR1 4694/4885KDM4E 2214/4885

“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.