SCHEMBL6018635

SCHEMBL6018635

CCCn1c(C(=O)Nc2ccccc2)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.56
RCOR1 Q9UKL0 2/20 0.56
ALDH1A1 P00352 2/20 0.54
TSHR P16473 2/20 0.54
HTT P42858 1/20 0.54
EGFR P00533 1/20 0.53
SRC P12931 1/20 0.53
ECE1 P42892 1/20 0.51
CNR2 P34972 1/20 0.49
KMT2A Q03164 5/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL6018659 0.88 ECE1 (0.63) ALDH1A1TSHRHTTEGFRSRC
SCHEMBL6018674 0.86 KMT2A (0.50) KDM1ARCOR1ALDH1A1TSHRHTT
SCHEMBL6018883 0.85 CCR2 (0.61) ALDH1A1HTTCNR2KMT2APOLB
SCHEMBL6175680 0.83 EGFR (0.45) KDM1ARCOR1ALDH1A1TSHRHTT
SCHEMBL8337177 0.83 KDM1A (0.60) KDM1ARCOR1ALDH1A1TSHRHTT
SCHEMBL6018930 0.81 ECE1 (0.65) ECE1KMT2AMEN1MAPTLMNA
SCHEMBL6020330 0.81 ECE1 (0.65) ECE1
SCHEMBL5889460 0.78 MAPT (0.53) HTTKMT2AMEN1MAPTTP53
SCHEMBL8362934 0.78 ECE1 (0.81) ECE1
SCHEMBL1415761 0.74 CCR2 (0.63) HTTKMT2AMEN1MAPTLMNA

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 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.