SCHEMBL2096572

SCHEMBL2096572

[CH2]Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 4/20 0.41
BACE1 P56817 2/20 0.41
IKBKB O14920 1/20 0.40
PDE4B Q07343 3/20 0.38
PDE4A P27815 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
HPRT1 P00492 1/20 0.37
PTGS1 P23219 1/20 0.37
NPC1 O15118 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 2/20 0.36
APAF1 O14727 1/20 0.36
LMNA P02545 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
SCHEMBL29065606 0.77 PTPN1 (0.41) PTPN1ALDH1A1BACE1IKBKBPDE4B
SCHEMBL2096573 0.77 PDE4B (0.55) PTPN1ALDH1A1BACE1IKBKBPDE4B
SCHEMBL27862699 0.77 PTPN1 (0.41) PTPN1ALDH1A1BACE1IKBKBPDE4B
SCHEMBL3121239 0.76 PTPN1 (0.40) PTPN1ALDH1A1BACE1IKBKBPDE4B
SCHEMBL12325398 0.74 PDE4B (0.56) ALDH1A1BACE1IKBKBPDE4BPDE4A
SCHEMBL2093992 0.74 SLC6A9 (0.44) ALDH1A1BACE1NPC1MEN1MAPT
SCHEMBL96797 0.73 ALDH1A1 (0.47) PTPN1ALDH1A1BACE1HPRT1PTGS1
SCHEMBL8928083 0.70 ALDH1A1 (0.50) PTPN1ALDH1A1BACE1PDE4BPDE4A
SCHEMBL23253617 0.70 MEN1 (0.47) PTPN1ALDH1A1BACE1NPC1MEN1
SCHEMBL22064851 0.69 CYP2A6 (0.50) PTPN1ALDH1A1BACE1HPRT1PTGS1

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 PTPN1 1076/4885ALDH1A1 412/4885BACE1 3500/4885

“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.