SCHEMBL6072174

SCHEMBL6072174

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 5/20 0.35
HPGD P15428 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 3/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 2/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL6072875 0.89 KDM4E (0.36) ALDH1A1KDM4EKMT2ALMNAMAPT
SCHEMBL6072201 0.88 TDP1 (0.39) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL6071599 0.87 TDP1 (0.32)
SCHEMBL6072213 0.86 TDP1 (0.32)
SCHEMBL6071947 0.86 KDM4E (0.42) ALDH1A1KDM4EHPGDKMT2ALMNA
Hydrochloric Acid SCHEMBL6072515 0.86 TDP1 (0.32)
SCHEMBL6072205 0.85 IRAK4 (0.33) KDM4EKMT2A
SCHEMBL6071949 0.85 HDAC1 (0.38) ALDH1A1KDM4ENPSR1KMT2AMAPT
SCHEMBL6072309 0.85 DNMT1 (0.46) ALDH1A1KDM4EHPGDNPSR1KMT2A
SCHEMBL6072104 0.85 FFAR4 (0.33)

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 ALDH1A1 423/4885KDM4E 358/4885HPGD 787/4885

“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.