SCHEMBL2096580

SCHEMBL2096580

[O]c1cccc2sc(N3CCC(Oc4ccc(C(F)(F)F)cc4)CC3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.46
SCN9A Q15858 2/20 0.42
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
FPR2 P25090 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
LIPE Q05469 1/20 0.40
EPHX2 P34913 1/20 0.40
MAPT P10636 2/20 0.39
MMP2 P08253 3/20 0.39
MMP13 P45452 3/20 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
SCHEMBL2096584 0.90 SCD (0.46) SCDSCN9AKCNH2SCN5ASMN1; SMN2
SCHEMBL2088856 0.87 MAPT (0.45) SCDSMN1; SMN2RAB9AL3MBTL1NPC1
SCHEMBL2096712 0.82 SCD (0.50) SCDSCN9ASMN1; SMN2RAB9AL3MBTL1
SCHEMBL2094258 0.81 RPS6KB1 (0.44) SMN1; SMN2RAB9AL3MBTL1NPC1TSHR
SCHEMBL2095541 0.81 MAPT (0.41) SMN1; SMN2RAB9AL3MBTL1NPC1TSHR
SCHEMBL2085146 0.81 MAPT (0.46) SCDKCNH2SMN1; SMN2RAB9ANPC1
SCHEMBL5015038 0.77 RAB9A (0.50) SMN1; SMN2RAB9AL3MBTL1NPC1MAPT
SCHEMBL2088859 0.76 MAPT (0.45) SCDSMN1; SMN2RAB9AL3MBTL1NPC1
SCHEMBL2098417 0.73 CTSV (0.41) SMN1; SMN2RAB9AL3MBTL1NPC1TSHR
SCHEMBL2091713 0.73 RAB9A (0.47) SMN1; SMN2RAB9AL3MBTL1NPC1TSHR

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 SCD 3633/4885SCN9A 3557/4885KCNH2 3121/4885

“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.