SCHEMBL2056331

SCHEMBL2056331

CCc1ccc(-c2ccc(F)c(Cl)c2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 2/20 0.55
PKM P14618 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
KMO O15229 2/20 0.43
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
RXRA P19793 1/20 0.42
CASP1 P29466 1/20 0.42
TRPV3 Q8NET8 1/20 0.41
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8174949 0.86 RAB9A (0.58) GRM2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL12603839 0.80 SMN1; SMN2 (0.61) GRM2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL14438066 0.80 CCR1 (0.48) GRM2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL19243111 0.79 NPC1 (0.52) GRM2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL15060593 0.79 RAB9A (0.51) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL17882026 0.78 MAOB (0.50) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL9602018 0.77 NPC1 (0.61) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL28115231 0.77 GRM2 (0.45) GRM2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL9806802 0.77 RAB9A (0.49) GRM2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL803150 0.76 RAB9A (0.69) NPC1RAB9ASMN1; SMN2TP53PKM

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
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
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 GRM2 146/4885NPC1 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.