SCHEMBL4396515

SCHEMBL4396515

COCOc1cc(CC(=O)OC)c(-c2ccc(C=NOC)o2)c(OCOC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.34
KMT2A Q03164 5/20 0.34
LMNA P02545 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
KDM4E B2RXH2 9/20 0.33
ALDH1A1 P00352 6/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL4396513 1.00 MAPT (0.34) MAPTKMT2ALMNAHDAC3HDAC4
SCHEMBL4386255 0.91 MAPT (0.38) MAPTKMT2ALMNAHDAC3HDAC4
SCHEMBL4386247 0.91 MAPT (0.38) MAPTKMT2ALMNAHDAC3HDAC4
SCHEMBL4378177 0.88 ALDH1A1 (0.37) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL4392360 0.84 MAPT (0.36) MAPTKMT2AHDAC3HDAC4HDAC1
SCHEMBL4384014 0.84 ALDH1A1 (0.34) MAPTKMT2ALMNAHDAC3HDAC4
SCHEMBL4384018 0.84 ALDH1A1 (0.34) MAPTKMT2ALMNAHDAC3HDAC4
SCHEMBL4392354 0.84 MAPT (0.36) MAPTKMT2AHDAC3HDAC4HDAC1
SCHEMBL4379079 0.81 ALDH1A1 (0.36) MAPTKMT2AHDAC3HDAC4HDAC1
SCHEMBL4381673 0.81 MAPT (0.45) MAPTKMT2ALMNAHDAC4HDAC1

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-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P MAPT 2443/4885KMT2A 3994/4885LMNA 4706/4885

“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.