SCHEMBL162586

SCHEMBL162586

CC(C)CNC(=O)n1ccc([O])n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 4/20 0.38
ASAH1 Q13510 1/20 0.38
HPGD P15428 7/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
MLYCD O95822 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 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
SCHEMBL24971449 0.81 MME (0.48) CYP2C19CYP2D6KMT2AGAAHSD17B10
SCHEMBL166278 0.76 MAPT (0.43) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL162196 0.75 SCN4A (0.47) KMT2AGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL24971447 0.75 PCSK9 (0.37) KMT2AGAAHSD17B10ALDH1A1ASAH1
SCHEMBL162880 0.71 KMT2A (0.58) KMT2AHSD17B10ALDH1A1HPGDMEN1
SCHEMBL29299954 0.70 CYP2D6 (0.39) CYP2C19CYP2D6KMT2AGAAHSD17B10
SCHEMBL29296504 0.70 NOS1 (0.45) CYP2C19CYP2D6KMT2AGAAHSD17B10
SCHEMBL11029450 0.69 CYP2D6 (0.38) CYP2C19CYP2D6KMT2AGAAHSD17B10
SCHEMBL163515 0.69 ASAH1 (0.48) CYP2C19CYP2D6KMT2AGAAHSD17B10
SCHEMBL165474 0.68 KMT2A (0.38) KMT2AGAAALDH1A1HPGDMEN1

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 CYP2C19 4178/4885CYP2D6 2998/4885KMT2A 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.