SCHEMBL19745071

SCHEMBL19745071

N#Cc1ccc(COc2ccc3ccccc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ADAMTS4 O75173 1/20 0.43
CYSLTR1 Q9Y271 2/20 0.43
PDE10A Q9Y233 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL1010648 0.82 MEN1 (0.53) KMT2AMEN1MAPTADAMTS4CYSLTR1
SCHEMBL28230139 0.81 CYP3A4 (0.55) KMT2AMEN1MAPTADAMTS4CYSLTR1
SCHEMBL8621924 0.80 LMNA (0.50) MAOBKMT2AMEN1MAPTPOLB
SCHEMBL9485359 0.80 ADAMTS4 (0.57) KMT2AMEN1MAPTADAMTS4CYSLTR1
SCHEMBL6627563 0.78 MEN1 (0.49) KMT2AMEN1MAPTADAMTS4CYSLTR1
SCHEMBL7007566 0.78 CYSLTR1 (0.62) CYSLTR1CYSLTR2
SCHEMBL9828564 0.75 CYSLTR1 (0.65) CYSLTR1PDE10ACYSLTR2
SCHEMBL7005031 0.75 CYSLTR1 (0.53) MAOBADAMTS4CYSLTR1CYSLTR2
SCHEMBL24575196 0.75 GRM5 (0.56) MAOBCYP3A4
SCHEMBL29737927 0.75 MAOB (0.49) MAOBKDM4ECYP3A4NPC1GAA

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
EP-3475275-B1 3-ARYL AND HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-04-10 EP disclosed
US-11066396-B2 3-aryl- heteroaryl substituted 5-trifluoromethyl oxadiazoles as histonedeacetylase 6 (HDAC6) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-07-20 US disclosed
US-20190185462-A1 3-ARYL- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONEDEACETYLASE 6 (HDAC6) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-06-20 US disclosed
EP-3475275-A1 3-ARYL AND HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-05-01 EP disclosed
WO-2017222951-A1 3-ARYL AND HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 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 (2 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-11066396-B2 3-aryl- heteroaryl substituted 5-trifluoromethyl oxadiazoles as histonedeacetylase 6 (HDAC6) inhibitors HDAC6, HDAC1, HDAC5 MAOB 261/4885KDM4E 445/4885KMT2A 63/4885
US-20190185462-A1 3-ARYL- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONEDEACETYLASE 6 (HDAC6) INHIBITORS HDAC6, HDAC1, HDAC5 MAOB 261/4885KDM4E 445/4885KMT2A 63/4885

“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.