SCHEMBL6718802

SCHEMBL6718802

COc1cc(OC)c(C(=O)C=Cc2ccncc2)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.55
CYP1A1 P04798 5/20 0.53
CYP1A2 P05177 5/20 0.53
CYP2D6 P10635 5/20 0.53
CYP1B1 Q16678 5/20 0.53
MAPT P10636 2/20 0.53
CYP2C8 P10632 1/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
TNFRSF1A P19438 2/20 0.52
CAPN1 P07384 1/20 0.52
PARP1 P09874 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
CYP3A4 P08684 3/20 0.50
XDH P47989 1/20 0.49

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
SCHEMBL6718799 1.00 ABCG2 (0.55) ABCG2CYP1A1CYP1A2CYP2D6CYP1B1
SCHEMBL6715026 0.87 MAPT (0.68) ABCG2CYP1A1CYP1A2CYP1B1MAPT
SCHEMBL6715024 0.87 MAPT (0.68) ABCG2CYP1A1CYP1A2CYP1B1MAPT
SCHEMBL6724630 0.85 ABCG2 (0.72) ABCG2MAPTMEN1NPC1RAB9A
SCHEMBL6724627 0.85 ABCG2 (0.72) ABCG2MAPTMEN1NPC1RAB9A
SCHEMBL6717914 0.84 ABCG2 (0.68) ABCG2MAPTMEN1NPC1RAB9A
SCHEMBL6714565 0.82 PDE4A (0.69) ABCG2MAPTMEN1KMT2ATNFRSF1A
SCHEMBL6718613 0.82 MAPT (0.70) ABCG2MAPTMEN1NPC1RAB9A
Dilmefone SCHEMBL2109149 0.81 ABCG2 (0.82) ABCG2CYP1A1CYP1A2CYP2D6CYP1B1
SCHEMBL7353076 0.80 GAA (0.52) ABCG2CYP1A1CYP1A2CYP2D6CYP1B1

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 12 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-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 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 ABCG2 538/4885CYP1A1 1539/4885CYP1A2 1710/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH ABCG2 1223/4885CYP1A1 2165/4885CYP1A2 2289/4885

“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.