SCHEMBL163799

SCHEMBL163799

CCCCNC(=O)n1cccc1[O]

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.51
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
ASAH1 Q13510 4/20 0.47
NAMPT P43490 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL161740 0.90 BCHE (0.49) BCHEASAH1NAMPTMEN1KMT2A
SCHEMBL162982 0.83 BCHE (0.46) BCHEHTTSMN1; SMN2POLBMEN1
SCHEMBL163515 0.75 ASAH1 (0.48) ASAH1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL165613 0.73 BCHE (0.42) BCHESMN1; SMN2POLB
SCHEMBL160349 0.73 ASAH1 (0.46) BCHEHTTASAH1SMN1; SMN2
SCHEMBL164228 0.71 BCHE (0.51) BCHETSHRSMN1; SMN2POLBMEN1
SCHEMBL15204741 0.71 MAPT (0.51) NAMPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL162022 0.70 ALOX15 (0.47) BCHETSHRHTTASAH1NAMPT
SCHEMBL8723032 0.69 BCHE (0.51) BCHEHTTASAH1POLB
SCHEMBL10654951 0.69 ASAH1 (0.90) BCHETSHRHTTASAH1SMN1; 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 BCHE 37/4885TSHR 4862/4885HTT 72/4885

“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.