SCHEMBL4447289

SCHEMBL4447289

CCCCC#Cc1cc2c(cc1[N+](=O)[O-])C(=O)CC2

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BAZ1A Q9NRL2 1/20 0.30
VCAM1 P19320 1/20 0.30
PGK1 P00558 1/20 0.30

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
SCHEMBL4599314 0.74 ALDH1A1 (0.38) ALDH1A1MAPTTDP1L3MBTL1BAZ1A
SCHEMBL4448981 0.72 KDM4E (0.35) MAPTTDP1PGK1
SCHEMBL4450868 0.71 CYSLTR2 (0.33) MAPTTDP1
SCHEMBL4445403 0.71 MAPT (0.34) MAPTTDP1
SCHEMBL4450873 0.71 KDM4E (0.39) MAPTTDP1
SCHEMBL14681823 0.70 GPR84 (0.41) ALDH1A1MAPTTDP1L3MBTL1VCAM1
SCHEMBL1025369 0.70 ALDH1A1 (0.40) ALDH1A1MAPTTDP1BAZ1A
SCHEMBL7894568 0.67 ATM (0.42) ALDH1A1MAPTTDP1BAZ1AVCAM1
SCHEMBL1994756 0.67 MAPT (0.45) ALDH1A1MAPTTDP1L3MBTL1BAZ1A
SCHEMBL11980460 0.67 BAZ1A (0.37) ALDH1A1MAPTBAZ1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583738-B1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GMBH (DE) 2017-05-10 EP disclosed
US-7482484-B2 Carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2009-01-27 US disclosed
US-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2006-05-25 US disclosed
EP-1583738-A1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GmbH (DE) 2005-10-12 EP disclosed
WO-2004063148-A1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GMBH (DE) 2004-07-29 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 (1 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-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia NR1H3, LDLR, NR1H2 ALDH1A1 2283/4885MAPT 4833/4885TDP1 4018/4885

“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.