SCHEMBL20671968

SCHEMBL20671968

CC(C)(C)Cc1ccc(C(=O)NCc2ccn[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.47
EPHX2 P34913 13/20 0.46
NAMPT P43490 1/20 0.46
NR1H4 Q96RI1 11/20 0.44
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 2/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL18617519 0.85 NAMPT (0.54) HPGDSNAMPTHDAC3HDAC6MEN1
SCHEMBL20671967 0.78 HDAC3 (0.53) HPGDSEPHX2NR1H4HDAC3HDAC8
SCHEMBL20672115 0.78 GAA (0.62) EPHX2NR1H4MEN1KMT2ACYP1A2
SCHEMBL20671969 0.76 NAMPT (0.52) EPHX2NAMPTNR1H4HDAC3HDAC8
SCHEMBL20671963 0.75 ROCK2 (0.47) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL20672116 0.74 LMNA (0.54) HPGDSEPHX2NAMPTNR1H4HDAC3
SCHEMBL20672120 0.74 LMNA (0.65) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL22501775 0.73 KDM4C (0.51) HPGDSNAMPTHDAC3HDAC8HDAC6
SCHEMBL20672114 0.72 EPHX2 (0.50) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL13167376 0.72 NAMPT (0.50) HPGDSNAMPTHDAC6KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 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 (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-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 HPGDS 215/4885EPHX2 28/4885NAMPT 1047/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 HPGDS 215/4885EPHX2 28/4885NAMPT 1047/4885

“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.