SCHEMBL2088751

SCHEMBL2088751

Cc1coc2c(Cl)c(Cl)c(Cl)cc12

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AHR P35869 11/20 0.50
KCNA3 P22001 3/20 0.39
TSHR P16473 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 1/20 0.35
PTPN1 P18031 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL17321066 0.76 KCNA3 (0.38) KCNA3TSHRKDM4EALDH1A1MAPK1
SCHEMBL14444123 0.75 AHR (0.39) AHRKCNA3
SCHEMBL17321064 0.75 PTPN1 (0.50) AHRKCNA3TSHRKDM4EALDH1A1
SCHEMBL20793965 0.72 SMN1; SMN2 (0.35) KCNA3ALDH1A1CYP3A4MAOA
SCHEMBL16345128 0.72 KCNA3 (0.38) KCNA3TSHRKDM4EALDH1A1MAPK1
SCHEMBL17321069 0.70 ALDH1A1 (0.48) AHRKCNA3TSHRKDM4EALDH1A1
SCHEMBL19956965 0.68 PTPN1 (0.57) AHRKCNA3TSHRKDM4EALDH1A1
SCHEMBL17321059 0.68 KCNA3 (0.36) AHRKCNA3TSHRKDM4EALDH1A1
SCHEMBL29568936 0.67 AHR (1.00) AHRALDH1A1CYP3A4
SCHEMBL2278973 0.67 AHR (1.00) AHRALDH1A1CYP3A4

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 3 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

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 AHR 1050/4885KCNA3 3166/4885TSHR 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.