SCHEMBL5659757

SCHEMBL5659757

N=C(NO)C(F)(F)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.44
HDAC7 Q8WUI4 4/20 0.44
HDAC8 Q9BY41 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC4 P56524 4/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
PTPN1 P18031 1/20 0.39
LMNA P02545 3/20 0.39

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
SCHEMBL23578199 0.83 HDAC1 (0.47) HDAC3HDAC8HDAC6HDAC1HDAC2
SCHEMBL23588235 0.81 CA1 (0.38) HDAC3HDAC8HDAC6HDAC4HDAC1
SCHEMBL18603135 0.81 KCNN4 (0.41) HDAC3HDAC7HDAC8HDAC6HDAC4
SCHEMBL25803013 0.79 HDAC1 (0.37) HDAC3HDAC8HDAC6HDAC1HDAC2
SCHEMBL18603163 0.79 HDAC7 (0.40) HDAC7HDAC8HDAC6HDAC4HDAC1
SCHEMBL5660904 0.79 HDAC1 (0.45) HDAC7HDAC8HDAC6HDAC4HDAC1
SCHEMBL23578541 0.79 TRPV1 (0.42) HDAC3HDAC7HDAC8HDAC6HDAC1
SCHEMBL3523088 0.77 KCNN4 (0.43) HDAC3HDAC7HDAC8HDAC6HDAC4
SCHEMBL23578534 0.76 PDE2A (0.41) HDAC3HDAC8HDAC6HDAC1HDAC2
SCHEMBL5327804 0.74 HDAC3 (0.48) HDAC3HDAC7HDAC8HDAC6HDAC4

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
US-20200140400-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2020-05-07 US disclosed
US-10562869-B2 Oxadiazole compounds REMYND NV (BE) 2020-02-18 US disclosed
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 US disclosed
US-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists MERCK SHARP & DOHME CORP. 2007-12-20 US 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 (4 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-10562869-B2 Oxadiazole compounds OXA1L, PSEN1, MAPT HDAC3 2470/4885HDAC7 4085/4885HDAC8 4415/4885
US-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists GRIN2B, GRIN2A, GRIN1 HDAC3 331/4885HDAC7 2532/4885HDAC8 2641/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT HDAC3 2488/4885HDAC7 4158/4885HDAC8 4465/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT HDAC3 2470/4885HDAC7 4085/4885HDAC8 4415/4885

“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.