SCHEMBL17520563

SCHEMBL17520563

COC(=O)C(CN)c1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.56
PLA2G2A P14555 6/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
TRPM8 Q7Z2W7 3/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
POLB P06746 1/20 0.48
HTR1D P28221 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
GAA P10253 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
SLC6A4 P31645 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MDH2 P40926 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR2A P28223 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
Hydrochloric Acid SCHEMBL17500243 0.99 LTA4H (0.55) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL20634174 0.91 TRPM8 (0.57) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL20634163 0.91 TRPM8 (0.57) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL20634172 0.91 TRPM8 (0.57) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
Hydrochloric Acid SCHEMBL20610077 0.88 LTA4H (0.62) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
Hydrochloric Acid SCHEMBL20610072 0.88 LTA4H (0.62) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
Hydrochloric Acid SCHEMBL20610074 0.88 LTA4H (0.62) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL17500319 0.86 LTA4H (0.50) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
Indorenate SCHEMBL10080621 0.84 HTR2B (0.64) MEN1KMT2ATRPM8KDM4EMAPT
Indorenate SCHEMBL10566582 0.83 HTR2B (0.63) MEN1KMT2ATRPM8KDM4EMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177621-B1 NOVEL HDAC6 INHIBITORS AND THEIR USES UNIV REGENSBURG (DE) 2021-11-10 EP disclosed
US-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES Universitätsklinikum Jena (DE) 2017-07-27 US disclosed
US-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES Universitätsklinikum Jena (DE) 2017-07-27 US disclosed
WO-2016020369-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES UNIVERSITÄT REGENSBURG (DE) 2016-02-11 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-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES HDAC6, HDAC5, HDAC4 LTA4H 332/4885PLA2G2A 2883/4885MEN1 3320/4885

“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.