SCHEMBL6072777

SCHEMBL6072777

CCOc1cc2c(c3c1OC(C)(C)C3)C(c1ccc(C(=O)O)c(Nc3ccccc3)c1)=NC(C)(C)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
IDO1 P14902 1/20 0.34
HTT P42858 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ACLY P53396 1/20 0.33
HPGD P15428 1/20 0.33
STK4 Q13043 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SSTR5 P35346 3/20 0.32
POLB P06746 1/20 0.32
CREBBP Q92793 1/20 0.31

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
SCHEMBL6072420 0.94 MAPT (0.35) IDO1KMT2AMAPTALDH1A1LMNA
SCHEMBL6072284 0.90 IDO1 (0.33) IDO1HTTKMT2AMEN1MAPT
SCHEMBL6072191 0.90 ACLY (0.38) IDO1HTTKMT2AMEN1MAPT
SCHEMBL6072931 0.89 HDAC1 (0.39) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL6072762 0.89 IDO1 (0.32) IDO1MAPTALDH1A1LMNAKDM4E
SCHEMBL6071815 0.89 SMN1; SMN2 (0.34) IDO1HTTKMT2AMEN1MAPT
SCHEMBL6072844 0.89 ACLY (0.41) IDO1HTTKMT2AMEN1MAPT
SCHEMBL6072299 0.88 PKM (0.36) IDO1HTTKMT2AMEN1MAPT
SCHEMBL6072196 0.88 HSD17B10 (0.36) IDO1ALDH1A1KDM4EACLY
SCHEMBL6072657 0.87 MAPT (0.33) IDO1KMT2AMAPTALDH1A1LMNA

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 AKR1C3 176/4885AKR1C2 295/4885IDO1 1813/4885

“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.