SCHEMBL2095360

SCHEMBL2095360

[O]c1cc(N2CCC(Cc3ccccc3)C(Cc3ccccc3)C2)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.42
KDM4E B2RXH2 5/20 0.39
GAA P10253 4/20 0.39
ACHE P22303 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.38
PDE10A Q9Y233 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 3/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.37
ALOX12 P18054 1/20 0.37
ADRB1 P08588 1/20 0.36
NCF1 P14598 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR3A P46098 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2095362 0.86 HRH4 (0.42) HRH4KDM4EGAAACHEL3MBTL1
SCHEMBL2096492 0.84 TSHR (0.49) KDM4EGAAL3MBTL1ALDH1A1PDE10A
SCHEMBL27666226 0.80 PDE10A (0.54) HRH4KDM4EALDH1A1PDE10AHPGD
SCHEMBL2093628 0.75 GRIN1 (0.43) KDM4EL3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL2091045 0.74 CTSV (0.43) KDM4EGAAACHEL3MBTL1ALDH1A1
SCHEMBL2096034 0.74 ACHE (0.41) KDM4EGAAACHEL3MBTL1PDE10A
SCHEMBL2093151 0.72 KDM4E (0.47) KDM4EGAAACHEL3MBTL1ALDH1A1
SCHEMBL27666020 0.71 RAB9A (0.56) GAAALDH1A1PDE10AKMT2APOLB
SCHEMBL2096494 0.69 ESR1 (0.54) KDM4EALDH1A1PDE10AKMT2AHPGD
SCHEMBL2091074 0.69 MAPT (0.40) KDM4EGAAL3MBTL1ALDH1A1KMT2A

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 HRH4 360/4885KDM4E 4578/4885GAA 3982/4885

“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.