SCHEMBL6135038

SCHEMBL6135038

NNC(=O)c1ccc(N2CCC(OCC3CCCCC3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
SMYD3 Q9H7B4 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PARP15 Q460N3 2/20 0.41
PARP10 Q53GL7 2/20 0.41
CA2 P00918 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
GFER P55789 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AOC2 O75106 1/20 0.40
PKM P14618 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 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
SCHEMBL6134644 0.85 HDAC3 (0.51) HDAC3HDAC8MEN1ALDH1A1KMT2A
SCHEMBL13099161 0.83 ADRA1A (0.47) HRH3ALDH1A1PKMSMN1; SMN2NPC1
SCHEMBL3110822 0.81 KMT2A (0.53) HDAC3HDAC8HRH3MEN1ALDH1A1
SCHEMBL6134107 0.81 MEN1 (0.47) MEN1ALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL3095676 0.79 GSK3B (0.53) HDAC3HDAC8PARP15PARP10HRH3
SCHEMBL13098926 0.79 MAP4K4 (0.45) HDAC6PARP15PARP10HCRTR2
SCHEMBL6132372 0.79 HDAC3 (0.53) HDAC3HDAC8SMYD3HDAC6KDM4E
SCHEMBL6134785 0.78 MAPT (0.50) HDAC3HDAC8KDM4EALDH1A1KMT2A
SCHEMBL6134735 0.77 SMYD3 (0.43) HDAC3HDAC8SMYD3CA2KDM4E
SCHEMBL6132370 0.77 SMYD3 (0.43) HDAC3HDAC8SMYD3CA2KDM4E

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-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 HDAC3 1145/4885HDAC8 2744/4885SMYD3 4235/4885

“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.