SCHEMBL6071947

SCHEMBL6071947

CCOC(=O)CNC(=O)Nc1cc(C2=NC(C)(C)Cc3cc(OCC)c4c(c32)CC(C)(C)O4)ccc1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 3/20 0.35
NLRP3 Q96P20 2/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
IDO1 P14902 1/20 0.32
MLYCD O95822 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 2/20 0.32
HBB P68871 1/20 0.32
PPID Q08752 1/20 0.31
ALOX15 P16050 1/20 0.31
TP53 P04637 2/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6072201 0.88 TDP1 (0.39) ALDH1A1POLBMAPTTDP1IDO1
SCHEMBL6071891 0.88 KDM4E (0.33) KDM4EALDH1A1POLBNLRP3TSHR
SCHEMBL6071902 0.88 KDM4E (0.33) KDM4EALDH1A1POLBNLRP3TSHR
SCHEMBL6072013 0.87 IDO1 (0.40) KDM4EALDH1A1POLBMAPTHSD17B10
SCHEMBL6072205 0.87 IRAK4 (0.33) KDM4ETDP1KMT2A
SCHEMBL6071599 0.87 TDP1 (0.32) TDP1
SCHEMBL6072875 0.86 KDM4E (0.36) KDM4EALDH1A1POLBTSHRMAPT
SCHEMBL6072213 0.86 TDP1 (0.32) TDP1
SCHEMBL6072104 0.86 FFAR4 (0.33) TDP1IDO1
SCHEMBL6072174 0.86 ALDH1A1 (0.35) KDM4EALDH1A1POLBTSHRMAPT

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 KDM4E 358/4885ALDH1A1 423/4885POLB 1887/4885

“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.