SCHEMBL2097546

SCHEMBL2097546

Fc1ccccc1COCC1CCCC[N]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
SLC6A4 P31645 3/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MCL1 Q07820 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN3A Q9NY46 6/20 0.34
KCNH2 Q12809 5/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
SCN1A P35498 1/20 0.34
SCN4A P35499 1/20 0.34
SCN7A Q01118 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
SCN2A Q99250 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
SCHEMBL2092272 0.80 KMT2A (0.38) IDO1SLC6A4HTR2AHTR2CMEN1
SCHEMBL2254428 0.75 DRD2 (0.39) IDO1HTR2AMEN1KMT2AALDH1A1
SCHEMBL5722136 0.70 KDM4E (0.41) IDO1SLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL2714973 0.70 IDO1 (0.67) IDO1MCL1MEN1KMT2AALDH1A1
SCHEMBL31065556 0.70 IDO1 (0.67) IDO1MCL1MEN1KMT2AALDH1A1
SCHEMBL11349084 0.70 KMT2A (0.57) IDO1HTR2AMEN1KMT2AALDH1A1
SCHEMBL2095832 0.69 IDO1 (0.47) IDO1CARM1PRMT6ALDH1A1MAOB
SCHEMBL3154472 0.69 TDP1 (0.44)
SCHEMBL18615766 0.68 CARM1 (0.57) IDO1SLC6A4HTR2AHTR2CHTR1A
Hydrochloric Acid SCHEMBL1477365 0.68 SLC6A2 (0.53) IDO1SLC6A4HTR1ASLC6A2SLC6A3

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 IDO1 2665/4885SLC6A4 4365/4885HTR2A 3100/4885

“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.