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
SCHEMBL514893 0.83 TDP1 (0.53) RAB9ANPC1ALDH1A1TGM2MAPT
SCHEMBL13835692 0.83 MAPT (0.53) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL513776 0.83 SMN1; SMN2 (0.46) MAPTSMN1; SMN2
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
SCHEMBL2895139 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.

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