SCHEMBL160116

SCHEMBL160116

CC(C)(C)NC(=O)c1cc([O])[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
ALPL P05186 3/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
JAK2 O60674 1/20 0.40
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
ANO1 Q5XXA6 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL18407323 0.81 SMN1; SMN2 (0.49) KMT2AGAALMNAALPLPRKAB2
SCHEMBL164683 0.79 BAZ2B (0.42) GAALMNAALPLAPEX1KDM4E
SCHEMBL18233007 0.79 ALPL (0.42) KMT2AGAALMNAALPLPRKAB2
SCHEMBL26449929 0.79 ALPL (0.45) KMT2AGAALMNAALPLPRKAB2
SCHEMBL26449962 0.77 PRKAB2 (0.49) KMT2AGAALMNAALPLPRKAB2
SCHEMBL18711808 0.76 HCAR2 (0.59) KMT2AGAAPOLBKDM4ENPC1
SCHEMBL164014 0.75 ADORA3 (0.45) ALPLCNR1KDM4ENPC1ALDH1A1
SCHEMBL162816 0.75 HDAC3 (0.43) ALPLCNR1POLBALDH1A1MAPK1
SCHEMBL162738 0.73 MAPK1 (0.44) KMT2ALMNAPOLBNPC1ALDH1A1
SCHEMBL25754165 0.73 CYP1A2 (0.45) KMT2AALPLPRKAB2PRKAG1PRKAA2

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 KMT2A 2544/4885GAA 131/4885LMNA 462/4885

“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.