SCHEMBL6018665

SCHEMBL6018665

Nc1ccccc1C(=O)c1cc2cc([N+](=O)[O-])ccc2n1CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.47
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 1/20 0.41
CYP19A1 P11511 1/20 0.40
PLA2G2A P14555 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
RORC P51449 1/20 0.37
CFTR P13569 1/20 0.37

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
SCHEMBL6018959 0.84 CCR2 (0.46) CCR2TDP1POLBMAPT
SCHEMBL6018674 0.79 KMT2A (0.50) CCR2ALDH1A1CYP3A4RAB9APOLB
SCHEMBL3660283 0.76 L3MBTL1 (0.64) CCR2ALDH1A1TDP1RAB9ACYP19A1
SCHEMBL1252366 0.74 CCR2 (0.51) CCR2ALDH1A1CYP19A1PLA2G2APOLB
SCHEMBL6019178 0.74 ECE1 (0.55)
SCHEMBL15712743 0.73 CCR2 (0.77) CCR2PLA2G2A
SCHEMBL1415761 0.71 CCR2 (0.63) CCR2CYP19A1MAPTCFTR
SCHEMBL8124685 0.70 CCR2 (0.62) CCR2ALDH1A1CYP19A1POLBMAPT
SCHEMBL6018883 0.69 CCR2 (0.61) CCR2ALDH1A1CYP19A1POLBMAPT
SCHEMBL6301018 0.69 CCR2 (0.85) CCR2

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 CCR2 3450/4885ALDH1A1 592/4885CYP3A4 1496/4885
US-20050038101-A1 Substituted 2 5-diamidoindoles as ece inhibitors for the treatment of cardiovascular diseases ECE1, ECE2, EDNRA CCR2 2595/4885ALDH1A1 199/4885CYP3A4 710/4885

“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.