SCHEMBL161101

SCHEMBL161101

CCCNC(=O)n1ccc([O])n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
BCHE P06276 1/20 0.41
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C19 P33261 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
SCHEMBL162022 0.90 ALOX15 (0.47) ALOX15BCHEHTTMEN1KMT2A
SCHEMBL12128371 0.83 PLAU (0.43) ALOX15NPSR1BCHELMNAPOLB
SCHEMBL162196 0.77 SCN4A (0.47) BCHEPOLBALDH1A1KMT2A
SCHEMBL29356511 0.71 ALOX15 (0.44) ALOX15L3MBTL1KDM4E
SCHEMBL30171330 0.70 ASAH1 (0.44) ALOX15L3MBTL1
SCHEMBL162960 0.70 KMT2A (0.43) ALOX15BCHELMNAALDH1A1MEN1
SCHEMBL12126293 0.69 NOS1 (0.46) NPSR1BCHEPOLBL3MBTL1KDM4E
SCHEMBL3279251 0.69 NOS1 (0.44) NPSR1BCHE
SCHEMBL11399366 0.68 ALOX15 (0.43) ALOX15ALDH1A1MEN1KMT2A
SCHEMBL11405588 0.68 ALOX15 (0.43) ALOX15ALDH1A1MEN1KMT2A

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 ALOX15 417/4885NPSR1 4694/4885BCHE 37/4885

“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.