SCHEMBL2097447

SCHEMBL2097447

[O]c1ccc2nc(N3CCC(Nc4c(F)c(F)c(F)c(F)c4F)CC3)sc2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
SMN1; SMN2 Q16637 8/20 0.47
ALDH1A1 P00352 2/20 0.46
MITF O75030 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MAPT P10636 6/20 0.44
HRH3 Q9Y5N1 1/20 0.42
GAA P10253 1/20 0.42
AR P10275 1/20 0.42
HTT P42858 1/20 0.41
PCSK9 Q8NBP7 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
SCHEMBL2095127 0.85 TP53 (0.53) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL2095037 0.83 SMN1; SMN2 (0.48) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL2089502 0.81 MAPT (0.51) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL2095454 0.79 ACLY (0.45) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL2095123 0.79 PCSK9 (0.42) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL2092534 0.79 SCD (0.48) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL2095624 0.78 SCN4A (0.54) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL2090639 0.78 NPC1 (0.52) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL2092152 0.78 ACLY (0.46) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL2095913 0.77 TP53 (0.50) TP53NPC1RAB9ASMN1; SMN2ALDH1A1

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 TP53 4732/4885LMNA 4594/4885NPC1 3130/4885

“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.