SCHEMBL2091389

SCHEMBL2091389

COc1c([S])cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ RAB9A P51151 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NOTUM Q6P988 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ TSHR P16473 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33

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
SCHEMBL254822 0.83 KDM4E (0.46) KDM4EALDH1A1HSD17B10RAB9ANPC1
SCHEMBL29048096 0.78 KDM4E (0.43) KDM4EALDH1A1HSD17B10RAB9ANPC1
SCHEMBL197298 0.74 SMN1; SMN2 (0.50) KDM4EALDH1A1HSD17B10RAB9ANPC1
SCHEMBL10666469 0.74 ALDH1A1 (0.39) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL3236165 0.74 RAB9A (0.50) KDM4EALDH1A1HSD17B10RAB9ANPC1
SCHEMBL16733990 0.74 KDM4E (0.45) KDM4EALDH1A1HSD17B10RAB9ANPC1
SCHEMBL340506 0.74 SMN1; SMN2 (0.50) KDM4EALDH1A1HSD17B10MAPK1SMN1; SMN2
SCHEMBL3837354 0.73 KDM4E (0.39) KDM4EALDH1A1HSD17B10RAB9ANPC1
SCHEMBL2094518 0.73 CA1 (0.52) KDM4EALDH1A1HSD17B10RAB9ANPC1
SCHEMBL21027568 0.73 KDM4E (0.39) KDM4EALDH1A1HSD17B10RAB9ANPC1

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 KDM4E 4578/4885ALDH1A1 412/4885HSD17B10 363/4885

“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.

Send feedback