SCHEMBL163633

SCHEMBL163633

CC(C)CNC(=O)c1ccc2ccccc2c1[O]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAOB P27338 1/20 0.51
POLB P06746 1/20 0.48
KDM4E B2RXH2 4/20 0.47
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KDM4A O75164 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL161942 0.93 KMT2A (0.51) KMT2AMEN1SMN1; SMN2MAOBPOLB
SCHEMBL162648 0.87 KMT2A (0.51) KMT2AMEN1SMN1; SMN2MAOBPOLB
SCHEMBL9508883 0.87 MEN1 (0.56) KMT2AMEN1SMN1; SMN2MAOBKDM4E
SCHEMBL165580 0.83 KMT2A (0.49) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL16866255 0.83 PLK1 (0.60) KMT2AMEN1SMN1; SMN2MAOBPOLB
SCHEMBL165470 0.81 EPHX1 (0.51) KMT2AMEN1MAOBPOLBKDM4E
SCHEMBL162180 0.80 NCEH1 (0.50) KMT2AMEN1SMN1; SMN2MAOBKDM4E
SCHEMBL15204692 0.78 MEN1 (0.57) KMT2AMEN1KDM4ENPSR1TP53
SCHEMBL161649 0.78 TSHR (0.62) KMT2AMEN1SMN1; SMN2GAAHPGD
SCHEMBL164091 0.78 PLK1 (0.66) KMT2AMEN1KDM4EGAAHSD17B10

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 2544/4885MEN1 4776/4885SMN1; SMN2 1/4885

“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.