SCHEMBL6714550

SCHEMBL6714550

CCCCc1ccc(C(=O)OCCC(C)(C)N)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
MAPT P10636 3/20 0.56
NFKB1 P19838 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
TSHR P16473 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
ALOX15 P16050 1/20 0.56
THPO P40225 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
KMT2A Q03164 1/20 0.56
HIF1A Q16665 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
S1PR1 P21453 6/20 0.40
S1PR4 O95977 5/20 0.40

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
SCHEMBL6716523 0.88 NFKB1 (0.58) ALDH1A1KDM4EMAPTNFKB1CYP1A2
SCHEMBL6717448 0.86 TSHR (0.66) ALDH1A1KDM4EMAPTNFKB1CYP1A2
SCHEMBL6714670 0.85 NFKB1 (0.49) ALDH1A1KDM4EMAPTNFKB1CYP1A2
SCHEMBL6718182 0.85 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTNFKB1CYP1A2
SCHEMBL9317698 0.84 TSHR (0.64) ALDH1A1KDM4EMAPTNFKB1CYP1A2
SCHEMBL6714754 0.84 TSHR (0.59) ALDH1A1KDM4EMAPTNFKB1CYP1A2
SCHEMBL7292768 0.82 NFKB1 (0.61) ALDH1A1KDM4EMAPTNFKB1CYP1A2
SCHEMBL6720235 0.82 NFKB1 (0.64) ALDH1A1KDM4EMAPTNFKB1CYP1A2
SCHEMBL27676051 0.82 NFKB1 (0.68) ALDH1A1KDM4EMAPTNFKB1CYP1A2
SCHEMBL11043810 0.79 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTNFKB1CYP1A2

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-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-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 ALDH1A1 100/4885KDM4E 1203/4885MAPT 1612/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH ALDH1A1 114/4885KDM4E 935/4885MAPT 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.