SCHEMBL163379

SCHEMBL163379

CCCCNC(=O)c1ccoc1[O]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
LMNA P02545 1/20 0.64
TSHR P16473 2/20 0.60
HTT P42858 1/20 0.60
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GAA P10253 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HPGD P15428 3/20 0.53
USP2 O75604 2/20 0.49
POLB P06746 1/20 0.49
GFER P55789 1/20 0.48
NAAA Q02083 3/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NR5A2 O00482 1/20 0.46
NR5A1 Q13285 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
SCHEMBL161521 0.90 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL19210845 0.75 TSHR (1.00) ALDH1A1SMN1; SMN2TSHRHTTHPGD
SCHEMBL158846 0.75 GAA (0.54) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL14811748 0.75 TSHR (0.71) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL164069 0.73 TSHR (0.80) ALDH1A1SMN1; SMN2TSHRHTTHPGD
SCHEMBL3092684 0.72 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2TSHRHTTMEN1
SCHEMBL28326194 0.71 L3MBTL1 (0.73) ALDH1A1SMN1; SMN2TSHRHTTMEN1
SCHEMBL162769 0.71 MEN1 (0.55) ALDH1A1SMN1; SMN2TSHRHTTMEN1
SCHEMBL163800 0.71 TSHR (0.60) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL11341066 0.71 TSHR (0.75) ALDH1A1SMN1; SMN2TSHRHTTKMT2A

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 ALDH1A1 1667/4885SMN1; SMN2 1/4885LMNA 462/4885

“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.