SCHEMBL161737

SCHEMBL161737

CCCNC(=O)c1cc([O])c2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HDAC3 O15379 5/20 0.50
HDAC1 Q13547 5/20 0.50
HDAC2 Q92769 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 2/20 0.47
HPGD P15428 1/20 0.47
EPHX1 P07099 1/20 0.47
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NAAA Q02083 1/20 0.44
RIPK1 Q13546 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL162958 0.92 SMN1; SMN2 (0.57) ALDH1A1KDM4EHDAC3HDAC1HDAC2
SCHEMBL160436 0.89 HDAC3 (0.51) ALDH1A1KDM4EHDAC3HDAC1HDAC2
SCHEMBL162794 0.88 BRD4 (0.45) ALDH1A1KDM4EHDAC3HDAC1HDAC2
SCHEMBL163714 0.86 ALDH1A1 (0.48) ALDH1A1KDM4EHDAC3HDAC1HDAC2
SCHEMBL161738 0.85 KDM4E (0.56) ALDH1A1KDM4EHDAC3HDAC1HDAC2
SCHEMBL160378 0.81 KMT2A (0.56) ALDH1A1KDM4EGAAHPGDPOLB
SCHEMBL162978 0.81 SMN1; SMN2 (0.55) HDAC3HDAC1HDAC2L3MBTL1GAA
SCHEMBL160411 0.80 PLK1 (0.50) ALDH1A1KDM4EHDAC2HPGD
SCHEMBL163094 0.79 SMN1; SMN2 (0.52) ALDH1A1KDM4EHDAC3HDAC1HDAC2
SCHEMBL6360257 0.78 HDAC3 (0.72) ALDH1A1KDM4EHDAC3HDAC1HDAC2

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 1667/4885KDM4E 2214/4885HDAC3 1776/4885

“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.