SCHEMBL4840705

SCHEMBL4840705

COc1ccc2c(c1)C(=CC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)NC(C)(C)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
MMP8 P22894 2/20 0.37
MMP3 P08254 1/20 0.37
KAT6A Q92794 1/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL4840695 1.00 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4844296 0.90 KMT2A (0.43) KMT2AMAPTHTTLMNAKDM4E
SCHEMBL4844317 0.90 KMT2A (0.43) KMT2AMAPTHTTLMNAKDM4E
SCHEMBL4839226 0.88 TSHR (0.45) KMT2AMAPTHTTLMNAKDM4E
SCHEMBL4839243 0.88 TSHR (0.45) KMT2AMAPTHTTLMNAKDM4E
SCHEMBL4844254 0.88 KMT2A (0.42) KMT2AMAPTHTTLMNAKDM4E
SCHEMBL4843993 0.88 LMNA (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4844244 0.88 KMT2A (0.42) KMT2AMAPTHTTLMNAKDM4E
SCHEMBL4843986 0.88 LMNA (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4843648 0.88 KMT2A (0.47) KMT2AMAPTHTTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 HDAC3 1518/4885HDAC1 439/4885HDAC2 623/4885

“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.