SCHEMBL3245716

SCHEMBL3245716

O=CCCCCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ TAAR1 Q96RJ0 1/20 0.48
▸ PTPN2 P17706 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ PTPN6 P29350 1/20 0.46
▸ PTPN11 Q06124 1/20 0.46
▸ FDFT1 P37268 2/20 0.44
▸ MAOB P27338 1/20 0.43
▸ MIF P14174 1/20 0.41
▸ PDPK1 O15530 1/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.40
▸ DAO P14920 4/20 0.40
▸ IDO1 P14902 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
SCHEMBL23176838 1.00 HDAC1 (0.51) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL5542566 0.98 HDAC1 (0.53) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL3244845 0.93 TAAR1 (0.52) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL5543455 0.86 PTPN2 (0.44) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL67365 0.85 TAAR1 (0.55) HDAC1HDAC8TAAR1MAOBMIF
SCHEMBL5539497 0.84 PTPN2 (0.45) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL5542719 0.83 HDAC1 (0.53) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL5540875 0.83 HDAC1 (0.53) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL5541663 0.82 DAO (0.41) HDAC1HDAC8DAOIDO1
SCHEMBL11932723 0.80 MAOB (0.58) HDAC1HDAC8TAAR1FDFT1MAOB

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 9 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
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 HDAC1 322/4885HDAC8 993/4885TAAR1 364/4885
US-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 HDAC1 90/4885HDAC8 321/4885TAAR1 436/4885

“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.

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