SCHEMBL2097199

SCHEMBL2097199

[O]c1ccc(C2CCCCN2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
POLB P06746 2/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA7 P36544 2/20 0.41
CHRNA4 P43681 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
PARP1 P09874 3/20 0.36
CHRM5 P08912 3/20 0.36
CHRM3 P20309 3/20 0.36
CHRM1 P11229 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
MPO P05164 1/20 0.35
IKBKB O14920 1/20 0.34

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
SCHEMBL2097203 0.81 IDO1 (0.43) MEN1KMT2ACYP2D6CYP2C19POLB
SCHEMBL9634176 0.80 KDM1A (0.43) MEN1KMT2ACYP2D6CYP2C19POLB
Hydrochloric Acid SCHEMBL20914773 0.79 CYP1A2 (0.41) MEN1KMT2ACYP2D6CYP2C19POLB
SCHEMBL27761854 0.75 MEN1 (0.41) MEN1KMT2ACYP2D6CYP2C19POLB
SCHEMBL16400915 0.75 HPGD (0.42) MEN1KMT2ACYP2D6CYP2C19CYP1A2
SCHEMBL25973017 0.75 SCN9A (0.46) MEN1KMT2ACYP2D6CHRNB2CHRNA7
SCHEMBL4149119 0.75 SCN9A (0.46) MEN1KMT2ACYP2D6CHRNB2CHRNA7
Hydrochloric Acid SCHEMBL17782268 0.74 SLC6A3 (0.43) KMT2AALDH1A1HPGDHSD17B10
SCHEMBL27735325 0.73 HTR6 (0.43) MEN1KMT2ACHRNB2CHRNA7CHRNA4
SCHEMBL27735346 0.73 TDP1 (0.47) MEN1KMT2APARP1ALDH1A1HSD17B10

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 MEN1 4525/4885KMT2A 3324/4885CYP2D6 743/4885

“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.