SCHEMBL2097809

SCHEMBL2097809

COCCCC(C)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
DDAH1 O94760 2/20 0.37
TSHR P16473 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 1/20 0.33
LTA4H P09960 1/20 0.33
EPHX1 P07099 1/20 0.33
BLM P54132 1/20 0.32
GABRR1 P24046 2/20 0.32
HPGD P15428 1/20 0.32
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL310765 0.86
SCHEMBL15340966 0.81 BLM (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CA1
SCHEMBL2097807 0.81 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4CA1
SCHEMBL6383237 0.80 BLM (0.52) ALDH1A1DDAH1TSHRLTA4HBLM
SCHEMBL28210974 0.80 ALDH1A1 (0.40) ALDH1A1DDAH1TSHRCA1LTA4H
SCHEMBL13225467 0.80 ALDH1A1 (0.40) ALDH1A1DDAH1TSHRCA1LTA4H
SCHEMBL30103441 0.79 CA2 (0.35) DDAH1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9763558 0.79 CA1 (0.44) ALDH1A1CA1CA2LTA4HEPHX1
SCHEMBL13578960 0.78 DDAH1 (0.47) ALDH1A1DDAH1TSHRCA1CA2
SCHEMBL30609780 0.77 BLM (0.35) CA1CA2LTA4HBLMGABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2945929-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS Merck Patent GmbH (DE) 2015-11-25 EP claimed
WO-2014111113-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2014-07-24 WO claimed
EP-2945929-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS Merck Patent GmbH (DE) 2015-11-25 EP disclosed
WO-2014111113-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2014-07-24 WO disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-2091538-A2 4-BENZYL-L(2H)-PHTHALAZINONES AS H1 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2009-08-26 EP disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
WO-2008074803-A2 4-BENZYL-L ( 2H) -PHTHALAZINONES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 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 (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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ALDH1A1 412/4885DDAH1 1179/4885TSHR 162/4885

“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.