SCHEMBL6072675

SCHEMBL6072675

COc1cc2c(c3c1OC(C)(C)C3)C(c1ccc(C(=O)O)c(NC(=O)c3cccc(NC(C)=O)c3)c1)=NC(C)(C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.39
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
POLB P06746 4/20 0.36
PYGL P06737 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CLK1 P49759 1/20 0.35
PARP1 P09874 1/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
CHEK1 O14757 1/20 0.34

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
SCHEMBL6072055 0.94 LMNA (0.37) IDO1POLBMEN1KMT2ACLK1
SCHEMBL6072219 0.92 SMN1; SMN2 (0.39) POLBPYGLMEN1KMT2ACLK1
SCHEMBL6072085 0.90 POLB (0.42) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL6071856 0.88 CREBBP (0.39) POLBMEN1KMT2ACLK1PARP1
SCHEMBL5784127 0.86 POLB (0.40) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL5784355 0.84 KCNK9 (0.42) POLBMEN1KMT2ATSHRMAPT
SCHEMBL5784867 0.84 BRAF (0.40) IDO1POLBMEN1KMT2ATSHR
SCHEMBL5786798 0.83 BRAF (0.39) IDO1POLBKMT2ANPC1RAB9A
SCHEMBL6072931 0.83 HDAC1 (0.39) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL5788158 0.83 IDO1 (0.42) IDO1POLBKMT2AALDH1A1MAPT

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 IDO1 1813/4885AKR1C4 143/4885AKR1C3 176/4885

“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.