SCHEMBL6134989

SCHEMBL6134989

COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(N3CCN(C4CCCC4)CC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
HDAC3 O15379 5/20 0.51
HDAC8 Q9BY41 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.49
L3MBTL3 Q96JM7 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MBTD1 Q05BQ5 1/20 0.49
TP53BP1 Q12888 1/20 0.49
L3MBTL4 Q8NA19 1/20 0.49
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
HRH3 Q9Y5N1 5/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
HRH1 P35367 1/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL6134631 0.99 HDAC3 (0.50) ALDH1A1HDAC3HDAC8L3MBTL1L3MBTL3
SCHEMBL6134612 0.90 ALDH1A1 (0.49) ALDH1A1HDAC3HDAC8L3MBTL1L3MBTL3
SCHEMBL6134863 0.90 KMT2A (0.51) ALDH1A1HDAC3HDAC8L3MBTL1L3MBTL3
SCHEMBL6369297 0.89 HRH3 (0.46) ALDH1A1HDAC3HDAC8L3MBTL1L3MBTL3
SCHEMBL7317032 0.89 ALDH1A1 (0.52) ALDH1A1L3MBTL1L3MBTL3MEN1KMT2A
SCHEMBL6134010 0.85 ALDH1A1 (0.49) ALDH1A1L3MBTL1L3MBTL3MEN1KMT2A
SCHEMBL6132215 0.85 KDM4E (0.53) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL6134440 0.84 KMT2A (0.45) ALDH1A1HDAC3HDAC8L3MBTL1L3MBTL3
SCHEMBL64181 0.84 ALDH1A1 (0.49) ALDH1A1L3MBTL1L3MBTL3MEN1KMT2A
SCHEMBL14529026 0.83 L3MBTL3 (0.66) ALDH1A1L3MBTL1L3MBTL3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US 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 ALDH1A1 3841/4885HDAC3 1145/4885HDAC8 2744/4885

“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.