SCHEMBL2090772

SCHEMBL2090772

[O]c1ccc2sc(N3CCC(Nc4ccccc4C(F)(F)C(F)(F)F)CC3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.41
RAB9A P51151 6/20 0.41
SCD O00767 5/20 0.40
ACLY P53396 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
MAPT P10636 4/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 2/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DPP4 P27487 1/20 0.36
PCSK9 Q8NBP7 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL2097143 0.85 RAB9A (0.44) NPC1RAB9ASCDACLYSMN1; SMN2
SCHEMBL2092534 0.84 SCD (0.48) NPC1RAB9ASCDACLYSMN1; SMN2
SCHEMBL2091345 0.82 PCSK9 (0.40) NPC1RAB9AACLYSMN1; SMN2MAPT
SCHEMBL2091352 0.79 MAPT (0.44) NPC1RAB9AACLYSMN1; SMN2MAPT
SCHEMBL5541081 0.77 SCD (0.46) SCDSMN1; SMN2MAPTTSHR
SCHEMBL2093556 0.76 SCN4A (0.39) NPC1RAB9ASCDACLYSMN1; SMN2
SCHEMBL2097229 0.76 RAB9A (0.44) NPC1RAB9ASCDACLYSMN1; SMN2
SCHEMBL2097196 0.76 KDM4E (0.46) NPC1RAB9ASCDACLYSMN1; SMN2
SCHEMBL2096658 0.76 SCN4A (0.45) NPC1RAB9ASCDACLYIDO1
SCHEMBL2095123 0.74 PCSK9 (0.42) NPC1RAB9AACLYSMN1; SMN2MAPT

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 NPC1 3130/4885RAB9A 3153/4885SCD 3633/4885

“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.