SCHEMBL2090736

SCHEMBL2090736

[O]CC(=O)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
ALDH1A1 P00352 5/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42
PHGDH O43175 1/20 0.41
LMNA P02545 3/20 0.41
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38
ADAM17 P78536 1/20 0.38
USP2 O75604 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
S1PR1 P21453 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL2096556 0.98 KMT2A (0.42) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL13622809 0.81 KMT2A (0.44) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL2090738 0.81 KMT2A (0.44) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL8363501 0.79 KMT2A (0.42) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL7665233 0.79 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL6482034 0.79 KMT2A (0.51) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL3149066 0.79 HTR2A (0.47) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL2096559 0.79 KMT2A (0.42) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL5430139 0.79 LMNA (0.43) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL8171738 0.79 KMT2A (0.42) KMT2AMEN1ALDH1A1TSHRMAPK1

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 KMT2A 3324/4885MEN1 4525/4885ALDH1A1 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.