SCHEMBL872464

SCHEMBL872464

N/C(=N\O)c1cc[nH]c(=O)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NOTUM Q6P988 1/20 0.37
KDM1A O60341 8/20 0.36
APOBEC3G Q9HC16 1/20 0.34
LMNA P02545 1/20 0.33
GFER P55789 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
RAB9A P51151 2/20 0.32
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4394829 1.00 RECQL (0.39) RECQLKMT2AMEN1NOTUMKDM1A
SCHEMBL6163681 0.78 MEN1 (0.44) RECQLKMT2AMEN1NOTUMAPOBEC3G
SCHEMBL1255885 0.71 MEN1 (0.56) KMT2AMEN1NOTUMAPOBEC3GL3MBTL1
SCHEMBL15505019 0.71 KDM1A (0.39) RECQLKMT2AMEN1KDM1ALMNA
SCHEMBL4399650 0.71 KDM1A (0.39) RECQLKMT2AMEN1KDM1ALMNA
SCHEMBL403839 0.70 CYP1A2 (0.65) RAB9AGAACYP1A2CYP3A4MAPT
SCHEMBL1608999 0.70 ENPP2 (0.56) RECQLKMT2AMEN1SMYD3RAB9A
SCHEMBL2416081 0.70 CYP1A2 (0.65) RAB9AGAACYP1A2CYP3A4MAPT
SCHEMBL10300683 0.70 ENPP2 (0.56) RECQLKMT2AMEN1SMYD3RAB9A
SCHEMBL11706244 0.69 SLC2A1 (0.46) KMT2AMEN1NOTUMAPOBEC3GSMYD3

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 13 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-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
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
WO-2017222952-A1 3- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 WO disclosed
US-9187437-B2 Substituted oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-17 US disclosed
EP-2619190-B1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP disclosed
EP-2619190-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS Bristol-Myers Squibb Company (US) 2013-07-31 EP disclosed
US-20130190361-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-25 US disclosed
WO-2012040532-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-29 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 (3 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 RECQL 4120/4885KMT2A 63/4885MEN1 4699/4885
US-20190185462-A1 3-ARYL- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONEDEACETYLASE 6 (HDAC6) INHIBITORS HDAC6, HDAC1, HDAC5 RECQL 4120/4885KMT2A 63/4885MEN1 4699/4885
US-20130190361-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 RECQL 1326/4885KMT2A 4230/4885MEN1 677/4885

“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.