SCHEMBL8024343

SCHEMBL8024343

N#Cc1cnc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
EGLN2 Q96KS0 7/20 0.38
GRM5 P41594 1/20 0.37
HPGDS O60760 2/20 0.36
SYK P43405 2/20 0.34
MET P08581 1/20 0.34
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33

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
SCHEMBL15688896 0.78 HTT (0.60) HTTKDM4EALDH1A1LMNAGAA
SCHEMBL30692233 0.78 HTT (0.60) HTTKDM4EALDH1A1LMNAGAA
SCHEMBL7935603 0.78 HTT (0.41) HTTKDM4EALDH1A1LMNAGAA
SCHEMBL480194 0.78 HTT (0.41) HTTKDM4EALDH1A1LMNAGAA
SCHEMBL29637510 0.78 HTT (0.41) HTTKDM4EALDH1A1LMNAGAA
SCHEMBL1725892 0.78 HTT (0.41) HTTKDM4EALDH1A1LMNAGAA
SCHEMBL28047557 0.77 KIF11 (0.51) CYP11B1CYP11B2EGLN2GABRG2GABRB3
SCHEMBL31158191 0.74 GRM5 (0.38) HTTKDM4EALDH1A1LMNAGAA
SCHEMBL22550772 0.74 HTT (0.38) HTTKDM4EALDH1A1LMNAGAA
SCHEMBL17803454 0.74 HTT (0.38) HTTKDM4EALDH1A1LMNAGAA

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 8 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
EP-0556737-B1 Process for the preparation of substituted 2,3-difluoro-pyridines CLARIANT GMBH (DE) 2000-01-12 EP disclosed
US-5468863-A Process for the preparation of substituted 2,3-difluoropyridines HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-21 US disclosed
EP-0556737-A1 Process for the preparation of substituted 2,3-difluoro-pyridines HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-25 EP 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 HTT 32/4885KDM4E 445/4885ALDH1A1 247/4885
US-20190185462-A1 3-ARYL- HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONEDEACETYLASE 6 (HDAC6) INHIBITORS HDAC6, HDAC1, HDAC5 HTT 32/4885KDM4E 445/4885ALDH1A1 247/4885

“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.