SCHEMBL6717407

SCHEMBL6717407

CC(N)(Cc1ccc2nc(N)sc2c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
NPC1 O15118 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CYP3A4 P08684 5/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 3/20 0.54
BLM P54132 2/20 0.54
GAA P10253 2/20 0.54
CYP1A2 P05177 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
EGFR P00533 1/20 0.54
FYN P06241 1/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
APEX1 P27695 1/20 0.54
ADRA1A P35348 1/20 0.54

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
SCHEMBL11562279 1.00 RAB9A (0.58) RAB9ANPC1SMN1; SMN2CYP3A4MAPT
SCHEMBL6717415 1.00 RAB9A (0.58) RAB9ANPC1SMN1; SMN2CYP3A4MAPT
Hydrochloric Acid SCHEMBL11555631 0.99 RAB9A (0.57) RAB9ANPC1SMN1; SMN2CYP3A4MAPT
Hydrochloric Acid SCHEMBL11326193 0.99 RAB9A (0.57) RAB9ANPC1SMN1; SMN2CYP3A4MAPT
Hydrochloric Acid SCHEMBL11326190 0.99 RAB9A (0.57) RAB9ANPC1SMN1; SMN2CYP3A4MAPT
SCHEMBL73741 0.79 RAB9A (0.62) RAB9ANPC1SMN1; SMN2CYP3A4MAPT
Hydrochloric Acid SCHEMBL3592885 0.77 RAB9A (0.60) RAB9ANPC1SMN1; SMN2CYP3A4MAPT
SCHEMBL9475607 0.77 RAB9A (0.64) RAB9ANPC1SMN1; SMN2CYP3A4MAPT
SCHEMBL6720065 0.76 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2CYP3A4MAPT
SCHEMBL11531247 0.76 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2CYP3A4MAPT

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 19 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-4156734-A Antihypertensive compositions containing an aryl-substituted alanine azo and an arylhydrazino-propionic acid MERCK & CO., INC. (US) 1979-05-29 US disclosed
US-4153715-A Indolyl amino acids useful as antihypertensive agents MERCK & CO., INC. (US) 1979-05-08 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 RAB9A 1699/4885NPC1 3381/4885SMN1; SMN2 1953/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH RAB9A 1433/4885NPC1 3772/4885SMN1; SMN2 793/4885

“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.