SCHEMBL6019297

SCHEMBL6019297

CCCn1c(C(=O)Nc2ccccc2)cc2cc(NC(=O)CC3CC4CCC3C4)ccc21

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 14/20 0.74
KDM1A O60341 2/20 0.46
RCOR1 Q9UKL0 2/20 0.46
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
CNR2 P34972 1/20 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
SCHEMBL6020357 0.91 ECE1 (0.73) ECE1KDM1ARCOR1LMNAALDH1A1
SCHEMBL6175193 0.86 ECE1 (0.58) ECE1LMNAALDH1A1HTT
SCHEMBL8338350 0.85 ECE1 (0.55) ECE1KDM1ARCOR1ALDH1A1TSHR
SCHEMBL8337114 0.85 ECE1 (1.00) ECE1
SCHEMBL8334700 0.85 ECE1 (0.85) ECE1
SCHEMBL8362934 0.78 ECE1 (0.81) ECE1
SCHEMBL8337177 0.73 KDM1A (0.60) ECE1KDM1ARCOR1ALDH1A1TSHR
SCHEMBL6018635 0.70 KDM1A (0.56) ECE1KDM1ARCOR1LMNAALDH1A1
SCHEMBL6020433 0.70 ECE1 (0.81) ECE1
SCHEMBL11732481 0.69 LMNA (0.59) ECE1LMNAALDH1A1HTT

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 5 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-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

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 756/4885KDM1A 2932/4885RCOR1 2039/4885
US-20050038101-A1 Substituted 2 5-diamidoindoles as ece inhibitors for the treatment of cardiovascular diseases ECE1, ECE2, EDNRA ECE1 1/4885KDM1A 635/4885RCOR1 2425/4885

“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.