SCHEMBL2095474

SCHEMBL2095474

[O]c1cccc2nc(N3CCC(Nc4c(F)cc(F)cc4F)CC3)sc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.38
NPC1 O15118 7/20 0.38
NAAA Q02083 1/20 0.38
MAPT P10636 4/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 2/20 0.37
SCD O00767 2/20 0.37
SMN1; SMN2 Q16637 7/20 0.36
ALDH1A1 P00352 6/20 0.36
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACLY P53396 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL2096199 0.85 SMN1; SMN2 (0.46) RAB9ANPC1NAAAMAPTTP53
SCHEMBL2094618 0.83 MAPT (0.46) RAB9ANPC1MAPTTP53LMNA
SCHEMBL27666152 0.82 SCD (0.53) RAB9ANPC1MAPTTP53LMNA
SCHEMBL2093094 0.77 NPC1 (0.43) RAB9ANPC1MAPTTP53LMNA
SCHEMBL2091744 0.77 SCD (0.49) RAB9ANPC1MAPTSCD
SCHEMBL2095589 0.75 SCD (0.45) RAB9ANPC1MAPTTP53SCD
SCHEMBL2096152 0.73 SCD (0.44) RAB9ANPC1NAAAMAPTTP53
SCHEMBL2096689 0.72 CYP2D6 (0.39) RAB9ANPC1NAAAMAPTTP53
SCHEMBL2092970 0.72 EHMT2 (0.37)
SCHEMBL2095435 0.69 HRH1 (0.44) RAB9ANPC1NAAAMAPTTP53

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 RAB9A 3153/4885NPC1 3130/4885NAAA 1489/4885

“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.