SCHEMBL2092897

SCHEMBL2092897

Cc1ccc(C=CCC=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.52
RAB9A P51151 4/20 0.47
KMT2A Q03164 1/20 0.47
NFE2L2 Q16236 3/20 0.46
FBP1 P09467 1/20 0.45
MAPT P10636 3/20 0.44
RELA Q04206 1/20 0.43
CA1 P00915 1/20 0.43
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
FOS P01100 1/20 0.41
JUN P05412 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL31634323 0.83 CYP2A6 (0.48) CYP2A6RAB9AKMT2ANFE2L2FBP1
SCHEMBL31634322 0.83 CYP2A6 (0.48) CYP2A6RAB9AKMT2ANFE2L2FBP1
SCHEMBL14370439 0.81 NFE2L2 (0.47) CYP2A6RAB9AKMT2ANFE2L2FBP1
SCHEMBL28107532 0.79 CYP2A6 (0.45) CYP2A6RAB9AKMT2ANFE2L2FBP1
SCHEMBL2096660 0.79 NFE2L2 (0.48) CYP2A6RAB9AKMT2ANFE2L2FBP1
SCHEMBL2096663 0.79 NFE2L2 (0.48) CYP2A6RAB9AKMT2ANFE2L2FBP1
SCHEMBL25214450 0.78 CYP2A6 (0.59) CYP2A6RAB9AKMT2AMAPTRELA
SCHEMBL14312252 0.77 PAM (0.52) CYP2A6NFE2L2RELAALOX5ALDH1A1
SCHEMBL2092458 0.77 HSD11B1 (0.48) NFE2L2FBP1GRIK1GRIK2PTGS1
SCHEMBL14312251 0.77 PAM (0.52) CYP2A6NFE2L2RELAALOX5ALDH1A1

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
WO-2013068592-A1 INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE FONDATION JEROME LEJEUNE (FR) 2013-05-16 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-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
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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
CN-1454091-A Immunostimulatory nucleic acids UNIV IOWA RES FOUND (US) 2003-11-05 CN 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 CYP2A6 1153/4885RAB9A 3153/4885KMT2A 3324/4885

“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.