SCHEMBL6132405

SCHEMBL6132405

CC1CCC(N2CCN(c3ccc(C(=O)NNC(=O)c4ccc(I)cc4)cc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
USP2 O75604 1/20 0.47
HDAC3 O15379 9/20 0.46
HDAC8 Q9BY41 9/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MBTD1 Q05BQ5 1/20 0.45
TP53BP1 Q12888 1/20 0.45
L3MBTL4 Q8NA19 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL6134863 0.87 KMT2A (0.51) MEN1KMT2AUSP2HDAC3HDAC8
SCHEMBL6132283 0.84 MEN1 (0.55) MEN1KMT2AUSP2HDAC3HDAC8
SCHEMBL13099150 0.81 KMT2A (0.46) MEN1KMT2AUSP2HDAC3HDAC8
SCHEMBL6135516 0.77 USP2 (0.67) MEN1KMT2AUSP2L3MBTL1MBTD1
SCHEMBL6134907 0.77 USP2 (0.67) MEN1KMT2AUSP2L3MBTL1MBTD1
SCHEMBL6134910 0.77 USP2 (0.67) MEN1KMT2AUSP2L3MBTL1MBTD1
SCHEMBL6134989 0.77 ALDH1A1 (0.51) MEN1KMT2AHDAC3HDAC8L3MBTL1
SCHEMBL6134608 0.77 KMT2A (0.53) MEN1KMT2AUSP2L3MBTL1MBTD1
SCHEMBL6134695 0.77 KMT2A (0.53) MEN1KMT2AUSP2L3MBTL1MBTD1
SCHEMBL6134606 0.77 KMT2A (0.53) MEN1KMT2AUSP2L3MBTL1MBTD1

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 MEN1 1517/4885KMT2A 4695/4885USP2 4462/4885

“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.