SCHEMBL2097528

SCHEMBL2097528

[CH2]c1sc(-c2cccc(CC)c2)nc1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
NISCH Q9Y2I1 1/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
BCL2 P10415 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NOTUM Q6P988 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
TRPM8 Q7Z2W7 2/20 0.37
PRMT6 Q96LA8 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2097530 0.84 HAO1 (0.45) IDO1NISCHNPC1HPGDKMT2A
SCHEMBL427730 0.80 SMN1; SMN2 (0.56) NPC1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2095957 0.78 TRPM8 (0.50) MAPTTRPM8
SCHEMBL2096169 0.78 KMT2A (0.61) NPC1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL20288104 0.75 MET (0.50) IDO1NISCHNPC1SMN1; SMN2BCL2
SCHEMBL16603180 0.74 DCK (0.42) NISCHKMT2ABCL2MAPTPTGDR2
SCHEMBL21351047 0.73 RAB9A (0.61) NPC1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL14518686 0.72 IDO1 (0.42) IDO1NISCHBCL2NOTUMCTSS
SCHEMBL19198554 0.71 HSD17B1 (0.54) IDO1NPC1HPGDKMT2ASMN1; SMN2
SCHEMBL1450945 0.70 CASP3 (0.61) NPC1KMT2ASMN1; SMN2ALDH1A1NOTUM

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
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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN 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 IDO1 2665/4885NISCH 2180/4885NPC1 3130/4885

“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.