SCHEMBL6720041

SCHEMBL6720041

CC(N)(Cc1ccc2nc(O)c(O)nc2c1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.61
▸ CYP1A2 P05177 3/20 0.61
▸ MAPT P10636 3/20 0.61
▸ HPGD P15428 3/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ BLM P54132 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ POLB P06746 2/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ ALOX15 P16050 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ USP2 O75604 1/20 0.61
▸ EGFR P00533 1/20 0.61
▸ FYN P06241 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ APEX1 P27695 1/20 0.61
▸ ADRA1A P35348 1/20 0.61
▸ PTGS2 P35354 1/20 0.61

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
SCHEMBL6720043 1.00 TDP1 (0.61) TDP1CYP1A2MAPTHPGDMEN1
SCHEMBL9317967 0.90 ALDH1A1 (0.51) TDP1CYP1A2MAPTHPGDMEN1
SCHEMBL9317955 0.90 ALDH1A1 (0.51) TDP1CYP1A2MAPTHPGDMEN1
SCHEMBL9317959 0.84 MEN1 (0.45) TDP1CYP1A2MAPTHPGDMEN1
SCHEMBL6724537 0.83 ALDH1A1 (0.56) TDP1CYP1A2MAPTHPGDMEN1
SCHEMBL6718115 0.83 ALDH1A1 (0.56) TDP1CYP1A2MAPTHPGDMEN1
SCHEMBL6718118 0.83 ALDH1A1 (0.56) TDP1CYP1A2MAPTHPGDMEN1
SCHEMBL6724540 0.83 ALDH1A1 (0.56) TDP1CYP1A2MAPTHPGDMEN1
SCHEMBL6720048 0.81 ALDH1A1 (0.59) TDP1CYP1A2MAPTHPGDMEN1
SCHEMBL6720046 0.81 ALDH1A1 (0.59) TDP1CYP1A2MAPTHPGDMEN1

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 17 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
US-4271187-A Substituted phenyl alanine antihypertensive agents MERCK & CO., INC. (US) 1981-06-02 — — US disclosed
US-4206216-A Antihypertensive N-heterocyclicalanines MERCK & CO., INC. (US) 1980-06-03 — — US disclosed
US-4170654-A Antihypertensive compositions containing N-heterocyclicalanines and α- MERCK & CO., INC. (US) 1979-10-09 — — US disclosed
US-4160835-A Antihypertensive compositions containing an arylsubstituted alanine and a phenyl hydrazinopropionic acid MERCK & CO., INC. (US) 1979-07-10 — — US disclosed
US-4065572-A Amino acids and esters thereof useful as antihypertensive agents MERCK & CO., INC. (US) 1977-12-27 — — US 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 TDP1 776/4885CYP1A2 1710/4885MAPT 1612/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH TDP1 1535/4885CYP1A2 2289/4885MAPT 1920/4885

“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.

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