SCHEMBL161905

SCHEMBL161905

CCCCNC(=O)c1cccc(O)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.81
NAAA Q02083 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
NAMPT P43490 1/20 0.58
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
HDAC1 Q13547 3/20 0.55
HDAC2 Q92769 3/20 0.55
EGLN2 Q96KS0 1/20 0.54
BCL2 P10415 1/20 0.53
MCL1 Q07820 1/20 0.53
POLB P06746 1/20 0.52
TP53BP1 Q12888 1/20 0.52
HDAC3 O15379 2/20 0.51
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL13577926 0.95 SMN1; SMN2 (0.73) SMN1; SMN2NAAAL3MBTL1NAMPTKDM4E
SCHEMBL9141803 0.94 SMN1; SMN2 (0.71) SMN1; SMN2NAAAL3MBTL1NAMPTKDM4E
SCHEMBL163436 0.90 L3MBTL1 (0.71) SMN1; SMN2NAAAL3MBTL1NAMPTKDM4E
SCHEMBL16117373 0.90 SMN1; SMN2 (1.00) SMN1; SMN2NAAAL3MBTL1ALDH1A1TSHR
SCHEMBL23484191 0.86 KDM4E (0.69) SMN1; SMN2L3MBTL1NAMPTKDM4EALDH1A1
SCHEMBL161904 0.84 SMN1; SMN2 (0.81) SMN1; SMN2NAAAL3MBTL1ALDH1A1TSHR
SCHEMBL13693382 0.84 SMN1; SMN2 (0.87) SMN1; SMN2NAAAL3MBTL1ALDH1A1TSHR
SCHEMBL31055438 0.84 L3MBTL1 (0.82) SMN1; SMN2NAAAL3MBTL1KDM4EALDH1A1
SCHEMBL842634 0.84 SMN1; SMN2 (0.81) SMN1; SMN2NAAAL3MBTL1TSHRHTT
SCHEMBL131829 0.83 SMN1; SMN2 (0.87) SMN1; SMN2NAAAL3MBTL1ALDH1A1TSHR

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 1/4885NAAA 2182/4885L3MBTL1 1654/4885

“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.