SCHEMBL2090286

SCHEMBL2090286

[CH2]Nc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
RAPGEF4 Q8WZA2 1/20 0.41
TSHR P16473 5/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP3A4 P08684 3/20 0.41
RECQL P46063 3/20 0.41
HPGD P15428 4/20 0.36
AHR P35869 1/20 0.36
ABCB1 P08183 1/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 2/20 0.34
SRC P12931 1/20 0.34
BRAF P15056 1/20 0.34
KDR P35968 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 3/20 0.32
MAPT P10636 3/20 0.32
MAPK1 P28482 3/20 0.32
KMT2A Q03164 3/20 0.32
RAB9A P51151 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
SCHEMBL1686537 0.75 RAPGEF4 (0.56) ALDH1A1RAPGEF4TSHRHSD17B10CYP3A4
SCHEMBL1997250 0.71 ALDH1A1 (0.45) ALDH1A1RAPGEF4TSHRHSD17B10CYP3A4
SCHEMBL17656072 0.71 ALDH1A1 (0.45) ALDH1A1RAPGEF4TSHRHSD17B10CYP3A4
SCHEMBL11842587 0.71 ALDH1A1 (0.48) ALDH1A1RAPGEF4TSHRHSD17B10CYP3A4
SCHEMBL6018016 0.71 ALDH1A1 (0.45) ALDH1A1RAPGEF4TSHRHSD17B10CYP3A4
SCHEMBL2090288 0.71 RAPGEF4 (0.46) ALDH1A1RAPGEF4TSHRHSD17B10CYP3A4
Hydrochloric Acid SCHEMBL2071416 0.69 ALDH1A1 (0.43) ALDH1A1RAPGEF4TSHRHSD17B10CYP3A4
Bromide SCHEMBL20984465 0.69 ALDH1A1 (0.43) ALDH1A1RAPGEF4TSHRHSD17B10CYP3A4
SCHEMBL2937097 0.66 TSHR (0.67) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL2097678 0.65 ERN1 (0.40) ALDH1A1RAPGEF4TSHRHSD17B10CYP3A4

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 ALDH1A1 412/4885RAPGEF4 4155/4885TSHR 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.