SCHEMBL80582

SCHEMBL80582

OCCCc1ccccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
GAA P10253 1/20 0.49
IDO1 P14902 2/20 0.48
TRPV1 Q8NER1 1/20 0.46
DAO P14920 1/20 0.44
CNR1 P21554 1/20 0.42
POLQ O75417 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NR3C2 P08235 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL17274380 0.92 HDAC1 (0.52) HDAC1HDAC8GAAIDO1TRPV1
SCHEMBL28546770 0.88 HDAC1 (0.50) HDAC1HDAC8GAAIDO1TRPV1
SCHEMBL979275 0.88 IDO1 (0.52) HDAC1HDAC8GAAIDO1TRPV1
SCHEMBL30019530 0.88 IDO1 (0.52) HDAC1HDAC8GAAIDO1TRPV1
SCHEMBL17329111 0.83 IDO1 (0.59) HDAC1HDAC8IDO1DAOCNR1
SCHEMBL5240400 0.82 TRPV1 (0.40) HDAC1HDAC8GAAIDO1TRPV1
SCHEMBL44837 0.81 IDO1 (0.57) HDAC1HDAC8IDO1POLQKDM4E
SCHEMBL29389277 0.81 IDO1 (0.57) HDAC1HDAC8IDO1POLQKDM4E
SCHEMBL2096669 0.80 IDO1 (0.48) HDAC1HDAC8GAAIDO1DAO
SCHEMBL7504635 0.80 IDO1 (0.48) HDAC1HDAC8GAAIDO1DAO

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995056-B2 Direct C—H amination and aza-annulation THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-05-04 US disclosed
US-10995056-B2 Direct C—H amination and aza-annulation THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-05-04 US disclosed
US-20190152892-A1 DIRECT C-H AMINATION AND AZA-ANNULATION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-05-23 US disclosed
US-20190152892-A1 DIRECT C-H AMINATION AND AZA-ANNULATION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-05-23 US disclosed
CN-106029620-B The manufacture method of 2 ' trifluoromethyl substituted aroma race ketone 东丽精细化工株式会社 2018-01-30 CN disclosed
WO-2018013540-A1 DIRECT C-H AMINATION AND AZA-ANNULATION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-01-18 WO disclosed
CN-106029620-A Method for producing 2'-trifluoromethyl group-substituted aromatic ketone 东丽精细化工株式会社 2016-10-12 CN disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 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
WO-2007043542-A9 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2008-05-08 WO 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-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 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 (7 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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM HDAC1 394/4885HDAC8 1090/4885GAA 3493/4885
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HDAC1 75/4885HDAC8 1412/4885GAA 976/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 HDAC1 322/4885HDAC8 993/4885GAA 4165/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HDAC1 75/4885HDAC8 1412/4885GAA 976/4885
US-10995056-B2 Direct C—H amination and aza-annulation AOC3, ALKBH3, AZI2 HDAC1 168/4885HDAC8 260/4885GAA 2357/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 HDAC1 280/4885HDAC8 1199/4885GAA 3982/4885
US-20190152892-A1 DIRECT C-H AMINATION AND AZA-ANNULATION AOC3, ALKBH3, AZI2 HDAC1 206/4885HDAC8 313/4885GAA 2360/4885

“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.