SCHEMBL2095641

SCHEMBL2095641

[CH2]OC(=O)Nc1ccccc1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.60
ALDH1A1 P00352 4/20 0.49
PKM P14618 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HPGD P15428 2/20 0.46
MAOB P27338 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 2/20 0.42
RECQL P46063 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
MAOA P21397 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
SCHEMBL2095643 0.85 L3MBTL1 (0.67) L3MBTL1ALDH1A1PKMNPC1RAB9A
SCHEMBL2092414 0.85 L3MBTL1 (0.44) L3MBTL1ALDH1A1NPC1RAB9AMAOB
SCHEMBL5006073 0.81 L3MBTL1 (0.61) L3MBTL1ALDH1A1PKMNPC1RAB9A
SCHEMBL4172605 0.81 L3MBTL1 (0.70) L3MBTL1ALDH1A1PKMNPC1RAB9A
SCHEMBL11552687 0.81 L3MBTL1 (0.54) L3MBTL1ALDH1A1PKMNPC1RAB9A
Hydrochloric Acid SCHEMBL11164652 0.80 L3MBTL1 (0.68) L3MBTL1ALDH1A1PKMNPC1RAB9A
SCHEMBL27547012 0.80 L3MBTL1 (0.68) L3MBTL1ALDH1A1PKMNPC1RAB9A
SCHEMBL2419022 0.80 L3MBTL1 (0.68) L3MBTL1ALDH1A1PKMHPGDMAOB
SCHEMBL2094406 0.78 PTPN1 (0.48) L3MBTL1ALDH1A1NPC1RAB9ALMNA
SCHEMBL9544162 0.78 L3MBTL1 (0.66) L3MBTL1ALDH1A1PKMNPC1RAB9A

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
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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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 L3MBTL1 2575/4885ALDH1A1 412/4885PKM 3041/4885

“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.