SCHEMBL6018633

SCHEMBL6018633

CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2n1Cc1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 3/20 0.45
NOD1 Q9Y239 3/20 0.45
CCR2 P41597 2/20 0.44
PPARG P37231 2/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ELANE P08246 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
F10 P00742 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL6019085 0.89 NOD2 (0.50) NOD2NOD1CCR2MAPTALDH1A1
SCHEMBL6018268 0.86 CCR2 (0.59) CCR2PPARGMAPTALDH1A1HTT
SCHEMBL6175784 0.85 PPARG (0.42) CCR2PPARGMAPTALDH1A1HTT
SCHEMBL4196083 0.82 NOD2 (0.54) NOD2NOD1CCR2MAPTALDH1A1
SCHEMBL23045592 0.81 NOD2 (0.49) NOD2NOD1CCR2MAPTHTT
SCHEMBL29463270 0.81 NOD2 (0.49) NOD2NOD1CCR2MAPTHTT
SCHEMBL6019426 0.81 ECE1 (0.49) CCR2PPARGPTGDR2
SCHEMBL17060318 0.81 NOD2 (0.60) NOD2NOD1CCR2MAPTALDH1A1
SCHEMBL16732758 0.80 MAPT (0.54) NOD2NOD1CCR2MAPTELANE
SCHEMBL5889460 0.80 MAPT (0.53) NOD2NOD1CCR2MAPTHTT

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 6 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-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 NOD2 4141/4885NOD1 4321/4885CCR2 3450/4885
US-20050038101-A1 Substituted 2 5-diamidoindoles as ece inhibitors for the treatment of cardiovascular diseases ECE1, ECE2, EDNRA NOD2 4457/4885NOD1 3989/4885CCR2 2595/4885

“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.