SCHEMBL2093974

SCHEMBL2093974

CCCCOC(=O)c1ccc(COC)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.52
RAB9A P51151 9/20 0.52
HSP90AA1 P07900 2/20 0.52
L3MBTL1 Q9Y468 5/20 0.49
TSHR P16473 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MAPK1 P28482 5/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
ESR1 P03372 1/20 0.49
CYP2D6 P10635 1/20 0.49
NR1H2 P55055 1/20 0.49
RNASEL Q05823 1/20 0.49
TDP1 Q9NUW8 3/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL21594667 0.91 NPC1 (0.51) NPC1RAB9AHSP90AA1L3MBTL1TSHR
SCHEMBL2093971 0.87 NPC1 (0.48) NPC1RAB9AHSP90AA1L3MBTL1TSHR
SCHEMBL2093331 0.85 TSHR (0.50) NPC1RAB9AHSP90AA1L3MBTL1TSHR
SCHEMBL19341670 0.85 TSHR (0.50) NPC1RAB9AHSP90AA1L3MBTL1TSHR
SCHEMBL2090871 0.84 NPC1 (0.60) NPC1RAB9AHSP90AA1L3MBTL1TSHR
SCHEMBL448074 0.84 TSHR (0.59) L3MBTL1TSHRSMN1; SMN2MAPK1LMNA
SCHEMBL4677058 0.84 TSHR (0.50) NPC1RAB9AHSP90AA1L3MBTL1TSHR
SCHEMBL28426282 0.81 TSHR (0.53) NPC1RAB9AHSP90AA1L3MBTL1TSHR
SCHEMBL28424839 0.81 TSHR (0.56) L3MBTL1TSHRSMN1; SMN2MAPK1LMNA
SCHEMBL2093037 0.81 TSHR (0.51) NPC1RAB9AL3MBTL1TSHRSMN1; 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 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 NPC1 3130/4885RAB9A 3153/4885HSP90AA1 2576/4885

“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.