SCHEMBL162022

SCHEMBL162022

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
BCHE P06276 1/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
ASAH1 Q13510 4/20 0.41
NAMPT P43490 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL161101 0.90 ALOX15 (0.41) ALOX15BCHEHTTMEN1KMT2A
SCHEMBL29356511 0.76 ALOX15 (0.44) ALOX15ASAH1NAMPT
SCHEMBL30171330 0.74 ASAH1 (0.44) ALOX15ASAH1NAMPT
SCHEMBL12128371 0.74 PLAU (0.43) ALOX15BCHETSHRASAH1
SCHEMBL11405588 0.72 ALOX15 (0.43) ALOX15ASAH1NAMPTMEN1CNR1
SCHEMBL11399366 0.72 ALOX15 (0.43) ALOX15ASAH1NAMPTMEN1CNR1
SCHEMBL11399918 0.72 ALOX15 (0.43) ALOX15ASAH1NAMPTMEN1CNR1
SCHEMBL16682479 0.71 HTT (0.41) BCHETSHRHTTASAH1NAMPT
SCHEMBL163799 0.70 BCHE (0.51) BCHETSHRHTTASAH1NAMPT
SCHEMBL160349 0.69 ASAH1 (0.46) BCHEHTTASAH1SMN1; SMN2

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 417/4885BCHE 37/4885TSHR 4862/4885

“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.