SCHEMBL2092823

SCHEMBL2092823

Cc1ccc(C)c(/C=C/C[C]=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
LMNA P02545 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDE5A O76074 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SRC P12931 1/20 0.33
PTGER1 P34995 2/20 0.32
PTGER4 P35408 2/20 0.32
PTGER3 P43115 2/20 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
SCHEMBL2092826 1.00 ALOX5 (0.45) ALOX5PTGS1PTGS2LMNAMEN1
SCHEMBL2092130 0.86 CYP1A1 (0.39) ALOX5PTGS1PTGS2LMNAMEN1
SCHEMBL2092131 0.86 CYP1A1 (0.39) ALOX5PTGS1PTGS2LMNAMEN1
SCHEMBL2089036 0.79 ALOX5 (0.49) ALOX5PTGS1PTGS2LMNAMEN1
SCHEMBL2089038 0.79 ALOX5 (0.49) ALOX5PTGS1PTGS2LMNAMEN1
SCHEMBL5536499 0.78 ALOX5 (0.41) ALOX5PTGS1PTGS2LMNAMEN1
SCHEMBL5536493 0.78 ALOX5 (0.41) ALOX5PTGS1PTGS2LMNAMEN1
SCHEMBL2098232 0.78 ALDH1A1 (0.47) LMNAMEN1KMT2AKDM4EPOLB
SCHEMBL2092828 0.78 ALOX5 (0.47) ALOX5PTGS1PTGS2LMNAMEN1
SCHEMBL2098231 0.78 ALDH1A1 (0.47) LMNAMEN1KMT2AKDM4EPOLB

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
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

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 ALOX5 2338/4885PTGS1 2872/4885PTGS2 1591/4885

“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.