SCHEMBL6072398

SCHEMBL6072398

N#Cc1ccc(I)c(OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.58
MRGPRX4 Q96LA9 5/20 0.46
CYP19A1 P11511 2/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
PTGER1 P34995 1/20 0.43
PPIA P62937 1/20 0.43
FFAR1 O14842 1/20 0.43
AR P10275 1/20 0.42

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
SCHEMBL17630139 0.83 CYP11B1 (0.50) CYP19A1CYP11B1CYP11B2
SCHEMBL70797 0.83 MAOB (0.60) MAOBMRGPRX4CYP19A1CYP11B1CYP11B2
SCHEMBL23882866 0.82 APP (0.53) MAOBCYP19A1AR
SCHEMBL6431004 0.81 MAOB (0.58) MAOBMRGPRX4CYP19A1CYP11B1CYP11B2
SCHEMBL20302267 0.81 MAOB (0.58) MAOBMRGPRX4CYP19A1CYP11B1CYP11B2
SCHEMBL6061295 0.81 MAOB (0.58) MAOBMRGPRX4CYP19A1CYP11B1CYP11B2
SCHEMBL31715781 0.81 MAOB (0.57) MAOBFFAR1
SCHEMBL6766128 0.80 MAOB (0.57) MAOBMRGPRX4AR
SCHEMBL3490042 0.80 MAOB (0.57) MAOBMRGPRX4AR
SCHEMBL2570360 0.80 CYP19A1 (0.62) MAOBMRGPRX4CYP19A1CYP11B1CYP11B2

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 MAOB 274/4885MRGPRX4 216/4885CYP19A1 238/4885

“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.