SCHEMBL2090971

SCHEMBL2090971

Fc1ccc(NCc2cs[c]n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
ERBB2 P04626 1/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.36
CXCR4 P61073 1/20 0.36
KCNH3 Q9ULD8 3/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PLEC Q15149 1/20 0.35
AURKA O14965 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL2094696 0.84 ERBB2 (0.41) ERBB2MAPT
SCHEMBL2092842 0.83 HTT (0.43) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL2089497 0.83 AGER (0.41) RAB9ANPC1SMN1; SMN2L3MBTL1ERBB2
SCHEMBL2095542 0.83 NPC1 (0.45) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL2096359 0.80 MAPT (0.47) RAB9ANPC1ALDH1A1L3MBTL1ERBB2
SCHEMBL2096979 0.79 MAPT (0.47) RAB9ASMN1; SMN2L3MBTL1LMNAMEN1
SCHEMBL2096136 0.79 LMNA (0.51) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL2096604 0.73 NPC1 (0.33) RAB9ANPC1MAPT
SCHEMBL2094787 0.70 MAPK10 (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL2093315 0.70 KDM4E (0.51) ALDH1A1SMN1; SMN2LMNAKCNH3MEN1

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 3130/4885ALDH1A1 412/4885

“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.