SCHEMBL4883767

SCHEMBL4883767

COc1cccc(OC)c1CNC=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HIF1A Q16665 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH7 P40394 1/20 0.44
TLR2 O60603 1/20 0.42
ERN1 O75460 1/20 0.42
TLR1 Q15399 1/20 0.42
TLR6 Q9Y2C9 1/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL1235146 0.79 PTPN1 (0.48) ERN1ALDH1A1CYP3A4
SCHEMBL350875 0.79 ALDH1A1 (0.58) CHRM2GRIN1GRIN2ABCHEACHE
SCHEMBL13828998 0.79 ERN1 (0.43) HDAC3HDAC1HDAC2HDAC8ADH1B
SCHEMBL4886662 0.79 KMT2A (0.55) HDAC3HDAC1HDAC2HDAC8HIF1A
SCHEMBL5544191 0.77 HIF1A (0.45) HDAC3HDAC1HDAC2HDAC8HIF1A
SCHEMBL5542256 0.77 HIF1A (0.46) HDAC3HDAC1HDAC2HDAC8HIF1A
SCHEMBL21224870 0.76 HTR2A (0.47) HDAC3HDAC1HDAC2HDAC8HIF1A
SCHEMBL2549434 0.75 HTR7 (0.50) HDAC3HDAC1HDAC2HDAC8HIF1A
SCHEMBL10784557 0.74 TLR2 (0.43) HDAC3HDAC1HDAC2HDAC8HTR2A
SCHEMBL28038995 0.74 NFE2L2 (0.49) HDAC3HDAC1HDAC2HDAC8HIF1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 US 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 (3 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 HDAC3 108/4885HDAC1 322/4885HDAC2 502/4885
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 HDAC3 239/4885HDAC1 949/4885HDAC2 619/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 HDAC3 239/4885HDAC1 949/4885HDAC2 619/4885

“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.