SCHEMBL6018965

SCHEMBL6018965

Nc1ccc2c(c1)cc(C(=O)Nc1ccccc1)n2CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.50
RCOR1 Q9UKL0 4/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.50
CNR2 P34972 1/20 0.48
ECE1 P42892 10/20 0.47
CCR2 P41597 1/20 0.46
MEN1 O00255 1/20 0.44
CCKAR P32238 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8337177 0.85 KDM1A (0.60) KDM1ARCOR1ALDH1A1TSHRHTT
SCHEMBL6018900 0.84 ECE1 (0.66) KDM1ARCOR1ALDH1A1TSHRHTT
SCHEMBL6018674 0.82 KMT2A (0.50) KDM1ARCOR1ALDH1A1TSHRHTT
SCHEMBL8334899 0.82 ECE1 (0.68) ECE1
SCHEMBL8362917 0.82 ECE1 (0.68) ECE1
SCHEMBL6018959 0.78 CCR2 (0.46) CCR2MEN1KMT2A
SCHEMBL2125011 0.76 CNR2 (0.50) KDM1ARCOR1ALDH1A1TSHRHTT
SCHEMBL6467410 0.76 ECE1 (0.42) KDM1ARCOR1ALDH1A1TSHRHTT
SCHEMBL3844342 0.75 L3MBTL1 (0.71) ALDH1A1TSHRCCR2KMT2A
SCHEMBL8362876 0.74 ECE1 (0.58) 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 3 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
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

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 KDM1A 2932/4885RCOR1 2039/4885ALDH1A1 592/4885
US-20050038101-A1 Substituted 2 5-diamidoindoles as ece inhibitors for the treatment of cardiovascular diseases ECE1, ECE2, EDNRA KDM1A 635/4885RCOR1 2425/4885ALDH1A1 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.