SCHEMBL6724646

SCHEMBL6724646

O=C(O)c1cc(C(=O)C=Cc2ccc(Cl)cc2)c(O)cc1O

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.67
MAOA P21397 4/20 0.67
ABCG2 Q9UNQ0 2/20 0.67
GUSB P08236 1/20 0.67
DHODH Q02127 1/20 0.66
AR P10275 2/20 0.62
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
PKM P14618 1/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CHRNA7 P36544 1/20 0.53

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
SCHEMBL6714630 0.88 CYP3A4 (0.69) MAOBMAOAABCG2GUSBAR
SCHEMBL6714628 0.88 CYP3A4 (0.69) MAOBMAOAABCG2GUSBAR
SCHEMBL6714688 0.86 MAPT (0.67) MAOBABCG2GUSBARMAPT
SCHEMBL6714683 0.86 MAPT (0.67) MAOBABCG2GUSBARMAPT
SCHEMBL25197325 0.83 MAOB (0.82) MAOBMAOAABCG2GUSBAR
SCHEMBL5085108 0.83 AR (0.88) MAOBMAOAABCG2GUSBAR
SCHEMBL5085100 0.83 AR (0.88) MAOBMAOAABCG2GUSBAR
SCHEMBL25198299 0.83 MAOB (0.82) MAOBMAOAABCG2GUSBAR
SCHEMBL25199712 0.80 MAOB (1.00) MAOBMAOAABCG2GUSBAR
SCHEMBL25211947 0.80 MAOB (1.00) MAOBMAOAABCG2GUSBAR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 US claimed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US claimed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP claimed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP claimed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO claimed
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 US disclosed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US disclosed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP disclosed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP disclosed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO disclosed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO 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 (2 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-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension GLS, APEH, GGH MAOB 93/4885MAOA 133/4885ABCG2 538/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH MAOB 133/4885MAOA 137/4885ABCG2 1223/4885

“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.