SCHEMBL2089846

SCHEMBL2089846

CN(C(=O)O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.44
TSHR P16473 2/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
ALDH1A1 P00352 5/20 0.39
MAPT P10636 1/20 0.39
TPMT P51580 1/20 0.38
CYP3A4 P08684 2/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.35
GRIN1 Q05586 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL11568609 0.83 FSCN1 (0.44) FSCN1TSHRCASP1SMN1; SMN2AKR1C4
SCHEMBL2089844 0.83 FSCN1 (0.44) FSCN1TSHRCASP1SMN1; SMN2AKR1C4
SCHEMBL2090468 0.78 POLB (0.47) FSCN1TSHRALDH1A1POLBKMT2A
SCHEMBL5794841 0.78 ALDH1A1 (0.37) FSCN1TSHRSMN1; SMN2AKR1C4AKR1C3
SCHEMBL10752158 0.76 FSCN1 (0.40) FSCN1TSHRSMN1; SMN2AKR1C4AKR1C3
SCHEMBL2092292 0.76 TPMT (0.44) FSCN1TSHRCASP1SMN1; SMN2ALDH1A1
SCHEMBL2094704 0.74 FSCN1 (0.73) FSCN1TSHRCASP1SMN1; SMN2ALDH1A1
SCHEMBL2095066 0.74 FSCN1 (0.41) FSCN1TSHRSMN1; SMN2AKR1C4AKR1C3
SCHEMBL2095068 0.74 ABCB1 (0.44) FSCN1TSHRALDH1A1MAPTKDM4E
SCHEMBL11320156 0.71 FSCN1 (0.36) FSCN1TSHRALDH1A1MAPTKDM4E

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 FSCN1 4487/4885TSHR 162/4885CASP1 1994/4885

“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.