SCHEMBL6018613

SCHEMBL6018613

COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3n2Cc2ccccc2F)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 19/20 0.59
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL6020461 0.91 ECE1 (0.57) ECE1RAB9A
SCHEMBL6020330 0.90 ECE1 (0.65) ECE1
SCHEMBL6606652 0.87 MEN1 (0.45) ECE1NPC1ALDH1A1MAPTRAB9A
SCHEMBL8329944 0.87 ECE1 (0.60) ECE1
SCHEMBL8362921 0.86 ECE1 (0.61) ECE1
SCHEMBL8338994 0.86 ECE1 (0.56) ECE1
SCHEMBL6018607 0.85 ECE1 (0.59) ECE1
SCHEMBL6019493 0.82 ECE1 (0.85) ECE1
SCHEMBL6023396 0.82 ECE1 (0.68) ECE1
SCHEMBL6019426 0.81 ECE1 (0.49) 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 7 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
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-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 756/4885NPC1 3391/4885ALDH1A1 592/4885
US-20050038101-A1 Substituted 2 5-diamidoindoles as ece inhibitors for the treatment of cardiovascular diseases ECE1, ECE2, EDNRA ECE1 1/4885NPC1 2903/4885ALDH1A1 199/4885

“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.