SCHEMBL2091345

SCHEMBL2091345

[O]c1ccc2sc(N3CCC(Nc4cccc(C(F)(F)C(F)(F)F)c4)CC3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
IDH2 P48735 1/20 0.38
ACLY P53396 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PHGDH O43175 2/20 0.36
MALT1 Q9UDY8 1/20 0.36
TP53 P04637 1/20 0.36
HTR6 P50406 2/20 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
SCHEMBL2097196 0.85 KDM4E (0.46) NPC1RAB9AACLYIDO1TDO2
SCHEMBL2096658 0.84 SCN4A (0.45) PCSK9NPC1RAB9AACLYIDO1
SCHEMBL2090772 0.82 NPC1 (0.41) PCSK9NPC1RAB9AACLYIDO1
SCHEMBL2095123 0.82 PCSK9 (0.42) PCSK9NPC1RAB9AACLYMAPT
SCHEMBL2093556 0.79 SCN4A (0.39) PCSK9NPC1RAB9AACLYMAPT
SCHEMBL5534508 0.78 IDH2 (0.40) IDH2MAPTALDH1A1LMNAHTT
SCHEMBL2091164 0.78 ACLY (0.46) NPC1RAB9AACLYMAPTSMN1; SMN2
SCHEMBL27644956 0.77 NPC1 (0.50) NPC1RAB9AACLYIDO1TDO2
SCHEMBL2097143 0.76 RAB9A (0.44) NPC1RAB9AACLYIDO1TDO2
SCHEMBL2095037 0.75 SMN1; SMN2 (0.48) NPC1RAB9AACLYMAPTSMN1; SMN2

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 PCSK9 4880/4885NPC1 3130/4885RAB9A 3153/4885

“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.