SCHEMBL161025

SCHEMBL161025

CCNC(=O)c1cccc([O])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
CDK8 P49336 1/20 0.48
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PARP1 P09874 1/20 0.45
ACACB O00763 1/20 0.44
PDK2 Q15119 2/20 0.43
BRD4 O60885 1/20 0.43
TP53BP1 Q12888 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL9713054 0.88 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AGAAHSD17B10L3MBTL1
SCHEMBL163435 0.86 L3MBTL1 (0.71) SMN1; SMN2KMT2AGAAHSD17B10L3MBTL1
SCHEMBL161904 0.83 SMN1; SMN2 (0.81) SMN1; SMN2GAAL3MBTL1ALDH1A1POLB
SCHEMBL30618513 0.81 L3MBTL1 (0.75) SMN1; SMN2KMT2AGAAL3MBTL1MEN1
SCHEMBL13702421 0.81 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AGAAHSD17B10L3MBTL1
SCHEMBL13753330 0.81 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AGAAHSD17B10L3MBTL1
SCHEMBL1360195 0.81 HDAC8 (0.65) SMN1; SMN2KMT2AMEN1POLBHDAC8
SCHEMBL5426936 0.81 L3MBTL1 (0.75) SMN1; SMN2KMT2AGAAL3MBTL1MEN1
SCHEMBL161026 0.81 KDM4E (0.65) SMN1; SMN2KMT2AGAAHSD17B10L3MBTL1
SCHEMBL161880 0.81 GAA (0.81) SMN1; SMN2KMT2AGAAHSD17B10MEN1

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 SMN1; SMN2 1/4885KMT2A 2544/4885GAA 131/4885

“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.