SCHEMBL3244845

SCHEMBL3244845

O=CCCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
FDFT1 P37268 2/20 0.46
MAOB P27338 1/20 0.46
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
PTPN11 Q06124 1/20 0.44
MIF P14174 1/20 0.43
PDPK1 O15530 1/20 0.42
DAO P14920 5/20 0.41
IDO1 P14902 2/20 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
SCHEMBL5542566 0.94 HDAC1 (0.53) TAAR1HDAC1HDAC8FDFT1MAOB
SCHEMBL23176838 0.93 HDAC1 (0.51) TAAR1HDAC1HDAC8FDFT1MAOB
SCHEMBL3245716 0.93 HDAC1 (0.51) TAAR1HDAC1HDAC8FDFT1MAOB
SCHEMBL67365 0.88 TAAR1 (0.55) TAAR1HDAC1HDAC8MAOBMIF
SCHEMBL5535938 0.85 PTPN2 (0.42) TAAR1HDAC1HDAC8FDFT1MAOB
SCHEMBL11932723 0.83 MAOB (0.58) TAAR1HDAC1HDAC8FDFT1MAOB
SCHEMBL5609741 0.83 TRPV1 (0.56) HDAC8
SCHEMBL8804078 0.81 TAAR1 (0.52) TAAR1HDAC1HDAC8FDFT1MAOB
SCHEMBL11516270 0.81 TAAR1 (0.52) TAAR1HDAC1HDAC8FDFT1MAOB
SCHEMBL1068676 0.81 KCNH2 (0.53) DAO

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 10 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
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 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
WO-2003042206-A1 PYRIDINONE AND PYRIMIDINONE COMPOUNDS SMITHKLINE BEECHAM P.L.C. (GB) 2003-05-22 WO disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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 (2 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 TAAR1 364/4885HDAC1 322/4885HDAC8 993/4885
US-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 TAAR1 436/4885HDAC1 90/4885HDAC8 321/4885

“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.