SCHEMBL163714

SCHEMBL163714

CCCNC(=O)c1cc([O])c2ccc3ccccc3c2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
HDAC3 O15379 4/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 4/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 2/20 0.46
EPHX1 P07099 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAAA Q02083 1/20 0.40
RIPK1 Q13546 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
SCHEMBL163094 0.92 SMN1; SMN2 (0.52) ALDH1A1KDM4EHDAC3HDAC1HDAC2
SCHEMBL161821 0.89 ALDH1A1 (0.44) ALDH1A1KDM4EHDAC3HDAC1HDAC2
SCHEMBL161737 0.86 ALDH1A1 (0.56) ALDH1A1KDM4EHDAC3HDAC1HDAC2
SCHEMBL163276 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL163280 0.83 KMT2A (0.51) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL160436 0.81 HDAC3 (0.51) ALDH1A1KDM4EHDAC3HDAC1HDAC2
SCHEMBL15204763 0.80 ALDH1A1 (0.49) ALDH1A1HPGDL3MBTL1MAPTMEN1
SCHEMBL162219 0.78 NCEH1 (0.48) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL162200 0.78 IMPDH2 (0.46) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL162958 0.78 SMN1; SMN2 (0.57) 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.