SCHEMBL6018546

SCHEMBL6018546

CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(C(=O)O)n2-c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 17/20 0.82
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
HPGD P15428 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6069195 0.90 ECE1 (1.00) ECE1HPGDGAAMAPTRAB9A
SCHEMBL6018853 0.88 ECE1 (0.92) ECE1HPGDGAAMAPTRAB9A
SCHEMBL6019583 0.87 ECE1 (0.73) ECE1ALDH1A1HPGDGAAMAPT
SCHEMBL8363860 0.86 ECE1 (0.88) ECE1
SCHEMBL6174392 0.83 ECE1 (0.67) ECE1ALDH1A1HPGDGAAMAPT
SCHEMBL6177176 0.83 ECE1 (0.82) ECE1
SCHEMBL6173723 0.79 ECE1 (0.62) ECE1ALDH1A1HPGDGAAMAPT
SCHEMBL6533137 0.79 ECE1 (0.80) ECE1
SCHEMBL6019272 0.78 ECE1 (0.84) ECE1
SCHEMBL6018597 0.76 ECE1 (0.84) ECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183753-A1 Use of substituted 2,5-diamidoindoles for the treatment of urological diseases BAYER HEALTHCARE AG (DE) 2006-08-17 US disclosed
US-7045544-B2 Substituted 2,5-diamidoindoles as ECE inhibitors for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2006-05-16 US disclosed
EP-1432415-B1 SUBSTITUTED 2,5-DIAMIDOINDOLES AS ECE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2005-12-28 EP disclosed
EP-1578418-A2 USE OF SUBSTITUTED 2,5-DIAMIDOINDOLES FOR THE TREATMENT OF UROLOGICAL DISEASES Bayer HealthCare AG (DE) 2005-09-28 EP disclosed
US-20050038101-A1 Substituted 2 5-diamidoindoles as ece inhibitors for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2005-02-17 US disclosed
WO-2004056768-A2 USE OF SUBSTITUTED 2,5-DIAMIDOINDOLES FOR THE TREATMENT OF UROLOGICAL DISEASES BAYER HEALTHCARE AG (DE) 2004-07-08 WO disclosed
WO-2004056768-A2 USE OF SUBSTITUTED 2,5-DIAMIDOINDOLES FOR THE TREATMENT OF UROLOGICAL DISEASES BAYER HEALTHCARE AG (DE) 2004-07-08 WO disclosed
EP-1432415-A1 SUBSTITUTED 2,5-DIAMIDOINDOLES AS ECE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2004-06-30 EP disclosed
WO-2003028719-A1 SUBSTITUTED 2,5-DIAMIDOINDOLES AS ECE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2003-04-10 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-20060183753-A1 Use of substituted 2,5-diamidoindoles for the treatment of urological diseases DCK, UROD, QDPR ECE1 756/4885ALDH1A1 592/4885TSHR 3306/4885
US-20050038101-A1 Substituted 2 5-diamidoindoles as ece inhibitors for the treatment of cardiovascular diseases ECE1, ECE2, EDNRA ECE1 1/4885ALDH1A1 199/4885TSHR 2516/4885

“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.