SCHEMBL6132372

SCHEMBL6132372

NNC(=O)c1ccc(N2CCN(CC3CCCCC3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.53
HDAC8 Q9BY41 4/20 0.53
SMYD3 Q9H7B4 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
CHRM4 P08173 1/20 0.44
NAMPT P43490 1/20 0.44
HTR1A P08908 1/20 0.44
KCNH2 Q12809 1/20 0.44
S1PR2 O95136 1/20 0.42
AOC2 O75106 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CCR1 P32246 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL6235992 0.99 HDAC3 (0.54) HDAC3HDAC8SMYD3HDAC6CHRM4
SCHEMBL6232666 0.83 USP2 (0.55) HDAC3HDAC8CHRM4KCNH2KDM4E
SCHEMBL6132264 0.83 HDAC3 (0.56) HDAC3HDAC8CHRM4S1PR2ALDH1A1
SCHEMBL6234622 0.82 HDAC3 (0.57) HDAC3HDAC8CHRM4MEN1ALDH1A1
SCHEMBL3085835 0.81 AOC2 (0.59) HDAC3HDAC8SMYD3HDAC6AOC2
SCHEMBL6134192 0.81 ITGB3 (0.51) HDAC3HDAC8SMYD3HDAC6KDM4E
SCHEMBL3107802 0.80 CASP1 (0.41) HDAC6CHRM4
SCHEMBL7337653 0.80 HDAC6 (0.69) HDAC8SMYD3HDAC6AOC2HDAC1
SCHEMBL6134717 0.80 ITGB3 (0.52) HDAC3HDAC8SMYD3HDAC6KDM4E
SCHEMBL12005398 0.79 MAPT (0.56) KDM4EMEN1ALDH1A1GFERKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884774-B2 Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-26 US disclosed
EP-1259535-B1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-04-13 EP disclosed
CN-1425026-A Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2003-06-18 CN disclosed
US-20030083238-A1 Cyclic hexapeptide derivatives ASTELLAS PHARMA INC. (JP) 2003-05-01 US disclosed
EP-1259535-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP disclosed
WO-2001060846-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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-20030083238-A1 Cyclic hexapeptide derivatives NGLY1, ALG1, CHIT1 HDAC3 1534/4885HDAC8 2137/4885SMYD3 4233/4885

“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.