SCHEMBL4869573

SCHEMBL4869573

CC(Cl)NC(=O)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
LMNA P02545 2/20 0.59
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
TP53 P04637 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
THRB P10828 1/20 0.56
HIF1A Q16665 1/20 0.56
ALDH1A1 P00352 2/20 0.54
ROCK2 O75116 1/20 0.54
ROCK1 Q13464 1/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
ECE1 P42892 1/20 0.52

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
SCHEMBL1106964 0.88 HDAC1 (0.62) HDAC1HDAC6LMNANPC1RAB9A
SCHEMBL28017547 0.88 HDAC1 (0.62) HDAC1HDAC6LMNANPC1RAB9A
SCHEMBL11868047 0.86 HDAC1 (0.61) HDAC1HDAC6LMNANPC1RAB9A
SCHEMBL1388177 0.86 HDAC1 (0.61) HDAC1HDAC6LMNANPC1RAB9A
SCHEMBL21922025 0.85 HDAC1 (0.59) HDAC1HDAC6LMNANPC1RAB9A
SCHEMBL2797592 0.83 LMNA (0.60) HDAC1HDAC6LMNANPC1RAB9A
SCHEMBL2794824 0.83 LMNA (0.60) HDAC1HDAC6LMNANPC1RAB9A
SCHEMBL6860757 0.83 HDAC1 (0.57) HDAC1HDAC6LMNANPC1RAB9A
SCHEMBL30151637 0.83 LMNA (0.60) HDAC1HDAC6LMNANPC1RAB9A
SCHEMBL11554379 0.83 HDAC1 (0.57) HDAC1HDAC6LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161395-A1 Derivatives of Aminobutanoic Acid Inhibiting Cpt SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-07-03 US disclosed
EP-1853556-A1 DERIVATIVES OF AMINOBUTANOIC ACID INHIBITING CPT SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2007-11-14 EP disclosed
WO-2006092204-A1 DERIVATIVES OF AMINOBUTANOIC ACID INHIBITING CPT SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-09-08 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-20080161395-A1 Derivatives of Aminobutanoic Acid Inhibiting Cpt CPT1B, CPT1A, CPT2 HDAC1 911/4885HDAC6 823/4885LMNA 3727/4885

“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.