SCHEMBL2092950

SCHEMBL2092950

[CH2]OCc1cc2cc(OC(F)(F)F)ccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SCN4A P35499 2/20 0.41
SCN9A Q15858 2/20 0.41
GAA P10253 2/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
SLC6A2 P23975 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL12777905 0.82 NPC1 (0.43) NPC1RAB9ASCN4ASCN9AGAA
SCHEMBL5536091 0.82 NPC1 (0.39) NPC1RAB9ASCN4ASCN9AGAA
SCHEMBL5538026 0.76 NPC1 (0.46) NPC1RAB9ASCN4ASCN9AGAA
SCHEMBL18002952 0.74 NPC1 (0.47) NPC1RAB9ASCN4ASCN9AGAA
SCHEMBL2095034 0.73 AGXT (0.41) GAACYP1A2CYP2C9SMN1; SMN2AGXT
SCHEMBL2095361 0.73 CYP2A6 (0.45) RAB9ACYP1A2AGXTBACE1MAOA
SCHEMBL2088811 0.71 AGXT (0.68) AGXT
SCHEMBL24038326 0.70 NPC1 (0.43) NPC1RAB9ASCN4ASCN9AGAA
SCHEMBL2092953 0.70 MTNR1A (0.37) NPC1RAB9ASCN4ASCN9AGAA
SCHEMBL1230732 0.69 CLK1 (0.50) NPC1RAB9ASCN4ASCN9AGAA

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 3153/4885SCN4A 2625/4885

“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.