SCHEMBL6132324

SCHEMBL6132324

COC1(C2CCCCC2)CCN(c2ccc(C(=O)NN)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
SMYD3 Q9H7B4 3/20 0.42
MAPT P10636 7/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 2/20 0.41
MCL1 Q07820 2/20 0.41
NR4A1 P22736 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
GFER P55789 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL6374849 0.99 HDAC3 (0.44) HDAC3HDAC8SMYD3MAPTALDH1A1
SCHEMBL13099125 0.87 ALDH1A1 (0.51) MAPTALDH1A1KMT2ARAB9AMEN1
SCHEMBL6132402 0.86 ALDH1A1 (0.46) HDAC3HDAC8SMYD3MAPTALDH1A1
SCHEMBL13099171 0.85 USP2 (0.52) MAPTALDH1A1KMT2ARAB9AKDM4E
SCHEMBL13273660 0.85 MAPT (0.49) MAPTALDH1A1KMT2ARAB9AKDM4E
SCHEMBL6379350 0.85 ALDH1A1 (0.47) HDAC3HDAC8SMYD3MAPTALDH1A1
SCHEMBL6373882 0.85 USP2 (0.47) HDAC3HDAC8SMYD3MAPTALDH1A1
SCHEMBL13099080 0.84 GSK3B (0.50) HDAC3HDAC8MAPTALDH1A1KMT2A
SCHEMBL13099159 0.83 MAPT (0.40) MAPTALDH1A1KMT2ARAB9AKDM4E
SCHEMBL6132697 0.83 SIRT2 (0.45) ALDH1A1KMT2ARAB9AMEN1HPGD

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 5 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
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.