SCHEMBL6071949

SCHEMBL6071949

CCOc1cc2c(c3c1OC(C)(C)C3)C(c1ccc(C(=O)OC)c(NC(=O)c3ccccc3)c1)=NC(C)(C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 3/20 0.37
MAPT P10636 3/20 0.37
AHR P35869 1/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CREBBP Q92793 1/20 0.36
TP53 P04637 1/20 0.36
P4HTM Q9NXG6 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6072931 0.94 HDAC1 (0.39) HDAC1HDAC8HDAC6KDM4EGAA
SCHEMBL6071789 0.93 GAA (0.35) HDAC1HDAC8HDAC6KDM4EGAA
SCHEMBL6072367 0.93 HDAC1 (0.39) HDAC1HDAC8HDAC6KDM4EGAA
SCHEMBL6071922 0.92 KDM4E (0.43) HDAC1KDM4EGAAMAPTALDH1A1
SCHEMBL6072285 0.91 MAPT (0.41) KDM4EGAAMAPTAHRSMN1; SMN2
SCHEMBL6071784 0.91 MAPT (0.40) KDM4EMAPK1HSD17B10GAAMAPT
SCHEMBL6072606 0.91 ABCG2 (0.35) MAPTAHRCREBBPTP53
SCHEMBL6071856 0.91 CREBBP (0.39) HDAC1HDAC8HDAC6MAPTAHR
SCHEMBL6072342 0.91 HDAC1 (0.37) HDAC1HDAC8HDAC6KDM4EGAA
SCHEMBL6072013 0.91 IDO1 (0.40) KDM4EHSD17B10GAAMAPTALDH1A1

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-20060106048-A1 Furoisoquinoline derivative and use thereof PASCALI, PETROS P. (CY) 2006-05-18 US disclosed
EP-1541576-A1 FUROISOQUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-15 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-20060106048-A1 Furoisoquinoline derivative and use thereof PDE3B, PDE2A, PDE3A HDAC1 122/4885HDAC8 539/4885HDAC6 1324/4885

“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.