SCHEMBL6072860

SCHEMBL6072860

N#Cc1ccc(C=CC(=O)O)c(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.41
PIN1 Q13526 1/20 0.40
ALDH1A1 P00352 2/20 0.40
RAD51 Q06609 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
FFAR1 O14842 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALB P02768 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
NFKB1 P19838 1/20 0.39
CA4 P22748 1/20 0.39
EIF2AK2 P19525 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37

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
SCHEMBL6072850 1.00 MIF (0.41) MIFPIN1ALDH1A1RAD51KDM4E
SCHEMBL5386171 0.87 FFAR1 (0.39) MIFPIN1ALDH1A1RAD51KDM4E
SCHEMBL5386165 0.87 FFAR1 (0.39) MIFPIN1ALDH1A1RAD51KDM4E
SCHEMBL4668564 0.82 CA1 (0.51) MIFPIN1ALDH1A1RAD51KDM4E
SCHEMBL4668561 0.82 CA1 (0.51) MIFPIN1ALDH1A1RAD51KDM4E
SCHEMBL6072059 0.82 ALDH1A1 (0.46) ALDH1A1RAD51KDM4EGAAALB
SCHEMBL6072062 0.82 ALDH1A1 (0.46) ALDH1A1RAD51KDM4EGAAALB
SCHEMBL2470556 0.81 ESR1 (0.47) MIFPIN1ALDH1A1RAD51KDM4E
SCHEMBL2470558 0.81 ESR1 (0.47) MIFPIN1ALDH1A1RAD51KDM4E
SCHEMBL6708257 0.81 MIF (0.61) MIFPIN1ALDH1A1RAD51KDM4E

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 MIF 1623/4885PIN1 4326/4885ALDH1A1 423/4885

“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.