SCHEMBL2091771

SCHEMBL2091771

[CH2]OC(=O)N(C)c1ccc(SC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.46
PLK1 P53350 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 1/20 0.35
SLC6A4 P31645 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL6003209 0.81 NOX1 (0.43) NOX1PLK1SMN1; SMN2RAB9ANPC1
SCHEMBL514894 0.79 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL513777 0.78 APP (0.38) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2090068 0.78 ALDH1A1 (0.41) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL514411 0.78 CYP3A4 (0.45) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL514386 0.77 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL7282448 0.76 NPC1 (0.47) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL11718726 0.76 NOX1 (0.50) NOX1PLK1SMN1; SMN2MEN1KMT2A
SCHEMBL11156463 0.73 NOX1 (0.47) NOX1PLK1MEN1KMT2AMAPT
SCHEMBL513490 0.72 ALDH1A1 (0.60) SMN1; SMN2MEN1KMT2AMAPTALDH1A1

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 NOX1 137/4885PLK1 3861/4885SMN1; SMN2 3787/4885

“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.