SCHEMBL5459004

SCHEMBL5459004

COc1cc(CNCc2ccc(-c3ccc(C(=O)NO)o3)cc2)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 4/20 0.60
CACNA1B Q00975 4/20 0.60
PDE7A Q13946 3/20 0.52
PDE3A Q14432 3/20 0.52
PDE4B Q07343 1/20 0.52
PDE4D Q08499 1/20 0.52
PDE7B Q9NP56 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 3/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
HDAC1 Q13547 3/20 0.46
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
HDAC3 O15379 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45

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
SCHEMBL5452596 0.84 HDAC1 (0.57) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL5445597 0.82 ALDH1A1 (0.49) CACNA1GCACNA1BMEN1KMT2AKDM4E
SCHEMBL5448334 0.79 KDM4E (0.58) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL5443301 0.79 MAPT (0.53) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL5446773 0.78 KDM4E (0.48) KDM4EALDH1A1MAPTHPGDHDAC1
SCHEMBL5446738 0.77 ALDH1A1 (0.51) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL5450998 0.75 HDAC1 (0.57) KDM4EALDH1A1MAPTHPGDHDAC1
SCHEMBL13485760 0.75 ALDH1A1 (0.59) PDE4BPDE4DMEN1KMT2AKDM4E
SCHEMBL5447915 0.75 HDAC1 (0.67) KDM4EALDH1A1MAPTHPGDHDAC1
SCHEMBL5442839 0.74 HDAC1 (0.46) MEN1KMT2AKDM4EALDH1A1MAPT

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-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 US disclosed
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 US disclosed
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 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-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications HDAC1, HDAC11, HDAC2 CACNA1G 4134/4885CACNA1B 4178/4885PDE7A 3006/4885

“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.