SCHEMBL2094148

SCHEMBL2094148

CN(C(=O)O)c1cccc(I)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN2A Q99250 1/20 0.51
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ APP P05067 1/20 0.39
▸ HSD17B2 P37059 4/20 0.37
▸ HSD17B1 P14061 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 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
SCHEMBL2094143 0.85 SCN2A (0.51) SCN2AAPPHSD17B2HSD17B1HTR2C
SCHEMBL28746512 0.80 SCN2A (0.48) SCN2AAPPHSD17B2HSD17B1KMT2A
SCHEMBL30229852 0.78 HSD17B1 (0.57) HSD17B2HSD17B1KDM4EALDH1A1TSHR
SCHEMBL1684295 0.78 HSD17B1 (0.57) HSD17B2HSD17B1KDM4EALDH1A1TSHR
SCHEMBL9340836 0.78 ALDH1A1 (0.61) CRHBPCRHR2HSD17B2HSD17B1ALDH1A1
SCHEMBL28746511 0.78 TP53 (0.46) SCN2AKMT2APOLBKDM4EALDH1A1
SCHEMBL2096198 0.77 HTR3E (0.61) HSD17B2HSD17B1KMT2AL3MBTL1POLB
SCHEMBL29460301 0.77 CES2 (0.44) CRHBPCRHR2KMT2A
SCHEMBL31715773 0.77 HTR3E (0.61) HSD17B2HSD17B1KMT2AL3MBTL1POLB
Ammonia Solution, Strong SCHEMBL28786422 0.77 HSD17B1 (0.55) HSD17B2HSD17B1KDM4EALDH1A1TSHR

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 SCN2A 957/4885CRHBP 3949/4885CRHR2 285/4885

“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.

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