SCHEMBL161880

SCHEMBL161880

CC(C)CNC(=O)c1cccc([O])c1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.81
KMT2A Q03164 3/20 0.81
HSD17B10 Q99714 1/20 0.81
HPGD P15428 2/20 0.58
KDM4E B2RXH2 2/20 0.54
ATM Q13315 1/20 0.54
MEN1 O00255 2/20 0.50
POLB P06746 2/20 0.50
MLYCD O95822 1/20 0.50
LMNA P02545 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ACACB O00763 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.46

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
SCHEMBL6889431 0.87 GAA (0.87) GAAKMT2AHSD17B10HPGDKDM4E
SCHEMBL27727377 0.83 GAA (0.87) GAAKMT2AHSD17B10HPGDKDM4E
SCHEMBL1753831 0.83 KMT2A (0.81) GAAKMT2AHSD17B10HPGDKDM4E
SCHEMBL161881 0.83 KMT2A (0.81) GAAKMT2AHSD17B10HPGDKDM4E
SCHEMBL23665645 0.82 KMT2A (0.78) GAAKMT2AHSD17B10HPGDKDM4E
SCHEMBL7090374 0.82 GAA (0.78) GAAKMT2AHSD17B10HPGDKDM4E
SCHEMBL1196328 0.82 GAA (0.78) GAAKMT2AHSD17B10HPGDKDM4E
SCHEMBL13981910 0.82 KMT2A (0.78) GAAKMT2AHSD17B10HPGDKDM4E
SCHEMBL31055430 0.82 KMT2A (0.78) GAAKMT2AHSD17B10HPGDKDM4E
SCHEMBL26078959 0.82 GAA (0.78) GAAKMT2AHSD17B10HPGDKDM4E

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 GAA 131/4885KMT2A 2544/4885HSD17B10 3364/4885

“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.