SCHEMBL2097993

SCHEMBL2097993

C[CH]OC(=O)Nc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
ALDH1A1 P00352 2/20 0.50
TGM2 P21980 1/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 3/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.49
FAAH O00519 2/20 0.48
ATM Q13315 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.46
XBP1 P17861 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL27830667 0.86 RAB9A (0.48) RAB9ANPC1ALDH1A1TGM2MEN1
SCHEMBL513776 0.83 SMN1; SMN2 (0.46) MAPTSMN1; SMN2
SCHEMBL13835692 0.83 MAPT (0.53) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL514893 0.83 TDP1 (0.53) RAB9ANPC1ALDH1A1TGM2MAPT
SCHEMBL514410 0.81 MAPT (0.53) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL482921 0.81 NAPRT (0.52) RAB9ANPC1ALDH1A1TGM2MEN1
SCHEMBL2095091 0.80 SMN1; SMN2 (0.67) RAB9ANPC1ALDH1A1TGM2MEN1
SCHEMBL514840 0.78 EPHX2 (0.63) ALDH1A1MEN1KMT2AMAPTFAAH
SCHEMBL13028753 0.77 NPC1 (0.65) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL2895136 0.77 NPC1 (0.65) RAB9ANPC1ALDH1A1MEN1KMT2A

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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN 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.