SCHEMBL162568

SCHEMBL162568

CC(C)(C)NC(=O)c1nc([O])co1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
CNR1 P21554 1/20 0.35
POLB P06746 2/20 0.33
APEX1 P27695 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 2/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32

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
SCHEMBL158298 0.82 POLB (0.37) ALDH1A1LMNAL3MBTL1MAOAMAOB
SCHEMBL18407328 0.81 CNR1 (0.37) ALDH1A1LMNAL3MBTL1MAOAMAOB
SCHEMBL160114 0.79 PLK1 (0.33) ALDH1A1TSHRKDM4EGAAHPGD
SCHEMBL18232994 0.79 ALDH1A1 (0.35) ALDH1A1LMNAL3MBTL1MAOAMAOB
SCHEMBL162173 0.75 KDM4E (0.37) L3MBTL1CNR1KMT2AKDM4EGAA
SCHEMBL164299 0.72 POLB (0.44) ALDH1A1LMNAL3MBTL1MAOBPOLB
SCHEMBL163237 0.72 NPSR1 (0.41) ALDH1A1KMT2ATSHRKDM4EHPGD
SCHEMBL159589 0.71 ALDH1A1 (0.40) ALDH1A1LMNAL3MBTL1MAOAMAOB
SCHEMBL162862 0.70 HTT (0.46) ALDH1A1LMNAL3MBTL1POLBMEN1
SCHEMBL164833 0.70

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 1667/4885LMNA 462/4885L3MBTL1 1654/4885

“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.