SCHEMBL5716062

SCHEMBL5716062

CC(C)(C)c1ccc(CNO)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.56
▸ HDAC8 Q9BY41 2/20 0.56
▸ HDAC6 Q9UBN7 2/20 0.56
▸ EPHX2 P34913 10/20 0.51
▸ NR1H4 Q96RI1 8/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ IDO1 P14902 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ ESRRG P62508 1/20 0.50
▸ RAB9A P51151 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ANPEP P15144 1/20 0.47
▸ ERAP2 Q6P179 1/20 0.47

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
SCHEMBL25183891 0.90 CA1 (0.49) HDAC3HDAC8HDAC6EPHX2NR1H4
SCHEMBL17864362 0.84 THRB (0.48) HDAC3HDAC8HDAC6EPHX2NR1H4
SCHEMBL20902781 0.81 CA1 (0.65) HDAC3HDAC8HDAC6EPHX2NR1H4
SCHEMBL178541 0.79 EPHX2 (0.53) HDAC3HDAC8HDAC6EPHX2NR1H4
SCHEMBL18025774 0.77 IDO1 (0.50) HDAC3HDAC8HDAC6MEN1KMT2A
SCHEMBL11147050 0.77 GABRA1 (0.46) HDAC3HDAC8HDAC6THRBIDO1
SCHEMBL21192809 0.77 EPHX2 (0.47) HDAC3HDAC8HDAC6EPHX2NR1H4
SCHEMBL25381118 0.77 CA1 (0.58) HDAC3HDAC8HDAC6EPHX2NR1H4
SCHEMBL11621318 0.77 CA1 (0.56) HDAC3HDAC8HDAC6EPHX2NR1H4
SCHEMBL13208251 0.77 EPHX2 (0.47) HDAC3HDAC8HDAC6EPHX2NR1H4

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
EP-1558574-A4 NOVEL N-HYDROXY THIOUREA, UREA AND AMIDE COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME DIGITAL BIOTECH CO LTD (KR) 2006-06-21 — — EP disclosed
US-20050288369-A1 Novel n-hydroxy thiourea, urea and amide compounds and the pharmaceutical compositions comprising the same DIGITAL BIOTECH CO., LTD. (KR) 2005-12-29 — — US disclosed
EP-1558574-A1 NOVEL N-HYDROXY THIOUREA, UREA AND AMIDE COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Digital Biotech Co., Ltd. (KR) 2005-08-03 — — EP disclosed
WO-2004035533-A1 NOVEL N-HYDROXY THIOUREA, UREA AND AMIDE COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME DIGITAL BIOTECH CO., LTD. (KR) 2004-04-29 — — 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 (1 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-20050288369-A1 Novel n-hydroxy thiourea, urea and amide compounds and the pharmaceutical compositions comprising the same HRH2, HRH4, NMUR2 HDAC3 3613/4885HDAC8 1172/4885HDAC6 2324/4885

“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.

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