SCHEMBL5542229

SCHEMBL5542229

Cc1cccc(-c2cccc(OC(F)(F)F)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.50
KCNH2 Q12809 3/20 0.47
SCN10A Q9Y5Y9 1/20 0.47
GPR3 P46089 1/20 0.46
PTPN5 P54829 1/20 0.45
XDH P47989 1/20 0.44
GALR1 P47211 1/20 0.44
PIM1 P11309 2/20 0.44
PIM2 Q9P1W9 2/20 0.44
AR P10275 1/20 0.44
ACHE P22303 1/20 0.44
DHODH Q02127 2/20 0.44
DYRK1A Q13627 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
HSD11B1 P28845 1/20 0.43

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
SCHEMBL12245 0.88 ACHE (0.56) PTGES2KCNH2SCN10AGPR3AR
SCHEMBL30072327 0.88 ACHE (0.56) PTGES2KCNH2SCN10AGPR3AR
SCHEMBL5544105 0.87 SCN5A (0.48) SCN10AGPR3PTPN5AR
SCHEMBL1044062 0.87 CYP1A2 (0.51) PTGES2KCNH2SCN10AGPR3PTPN5
SCHEMBL26375394 0.84 PTGES2 (0.42) PTGES2KCNH2SCN10APTPN5XDH
SCHEMBL5840598 0.82 SLC13A5 (0.51) PTGES2KCNH2SCN10AXDHGALR1
SCHEMBL278095 0.82 GPR3 (0.48) PTGES2KCNH2SCN10AGPR3XDH
SCHEMBL18002475 0.80 DRD1 (0.46) PTGES2KCNH2SCN10AXDHGALR1
SCHEMBL26375397 0.79 GPR3 (0.49) PTGES2KCNH2SCN10AGPR3XDH
SCHEMBL5538840 0.79 GPR3 (0.49) KCNH2SCN10AGPR3PIM1PIM2

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
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
US-20200275655-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2020-09-03 US disclosed
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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 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-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

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 PTGES2 3930/4885KCNH2 3503/4885SCN10A 4013/4885
US-20200275655-A1 PYRIDINIUM SALT AND PEST CONTROL AGENT PRDX1, KCNQ5, KCNQ1 PTGES2 3905/4885KCNH2 31/4885SCN10A 136/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 PTGES2 3880/4885KCNH2 29/4885SCN10A 463/4885

“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.