SCHEMBL1812296

SCHEMBL1812296

CC(O)(c1ccc([N+](=O)[O-])cc1)C(F)(F)F

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.82
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA5A P35218 1/20 0.50
CA9 Q16790 1/20 0.50
RORC P51449 1/20 0.47
ACHE P22303 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44

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
SCHEMBL27736519 0.85 HSD11B1 (0.61) HSD11B1CA1CA2CA5ACA9
SCHEMBL10185003 0.81 HSD11B1 (0.57) HSD11B1CA1CA2CA5ACA9
SCHEMBL4286706 0.81 HSD11B1 (0.57) HSD11B1CA1CA2CA5ACA9
SCHEMBL12208260 0.80 HSD11B1 (0.56) HSD11B1CA1CA2CA5ACA9
SCHEMBL1023276 0.80 HSD11B1 (0.60) HSD11B1CA1CA2CA5ACA9
SCHEMBL2320664 0.80 CA1 (0.56) HSD11B1CA1CA2CA5ACA9
SCHEMBL12170410 0.80 PTPRC (0.61) HSD11B1ACHEALDH1A1PDK1PDK2
SCHEMBL14574215 0.80 PTPRC (0.61) HSD11B1ACHEALDH1A1PDK1PDK2
SCHEMBL10165226 0.79 HSD11B1 (0.59) HSD11B1
SCHEMBL27579582 0.79 HSD11B1 (0.54) HSD11B1CA1CA2CA5ACA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4635942-A1 QUINOLINE DERIVATIVE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Carephar Pharmaceutical Co., Ltd (CN) 2025-10-22 EP disclosed
WO-2024152743-A1 QUINOLINE DERIVATIVE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏柯菲平医药股份有限公司 2024-07-25 WO disclosed
EP-3210969-B1 KCNQ2-5 CHANNEL ACTIVATOR ONO PHARMACEUTICAL CO (JP) 2021-04-28 EP disclosed
CN-107108485-B KCNQ 2-5 channel activator 小野药品工业株式会社 2020-06-12 CN disclosed
US-10676438-B2 KCNQ2-5 channel activator ONO PHARMACEUTICAL CO., LTD. (JP) 2020-06-09 US disclosed
US-20200157050-A1 KCNQ2-5 CHANNEL ACTIVATOR ONO PHARMACEUTICAL CO., LTD. (JP) 2020-05-21 US disclosed
US-10570093-B2 2020-02-25 US disclosed
US-10196358-B2 KCNQ2-5 channel activator ONO PHARMACEUTICAL CO., LTD. (JP) 2019-02-05 US disclosed
US-20180346422-A1 KCNQ2-5 CHANNEL ACTIVATOR ONO PHARMACEUTICAL CO., LTD. (JP) 2018-12-06 US disclosed
US-20170334855-A1 KCNQ2-5 CHANNEL ACTIVATOR ONO PHARMACEUTICAL CO., LTD. (JP) 2017-11-23 US disclosed
EP-1907357-A1 ANILINE SULFONAMIDE DERIVATIVES AND THEIR USES Amgen Inc. (US) 2008-04-09 EP disclosed
US-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 US disclosed
US-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 US disclosed
US-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 US disclosed
WO-2007013929-A1 ANILINE SULFONAMIDE DERIVATIVES AND THEIR USES AMGEN INC. (US) 2007-02-01 WO disclosed
US-20070021502-A1 Aniline sulfonamide derivatives and their uses AMGEN INC. 2007-01-25 US disclosed
US-20070021502-A1 Aniline sulfonamide derivatives and their uses AMGEN INC. 2007-01-25 US disclosed
US-20070021502-A1 Aniline sulfonamide derivatives and their uses AMGEN INC. 2007-01-25 US disclosed
EP-1678153-A1 THIOZOLIDINONES, PRODUCTION AND USE THEREOF AS MEDICAMENTS Schering Aktiengesellschaft (DE) 2006-07-12 EP disclosed
WO-2005042505-A1 THIOZOLIDINONES, PRODUCTION AND USE THEREOF AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-12 WO 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 (8 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-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases PLK2, PLK4, PDXK HSD11B1 3134/4885CA1 4855/4885CA2 4574/4885
US-10570093-B2 KCNQ5, KCNQ2, KCNQ1 HSD11B1 2566/4885CA1 2770/4885CA2 709/4885
US-20170334855-A1 KCNQ2-5 CHANNEL ACTIVATOR KCNQ5, KCNQ2, KCNQ1 HSD11B1 4314/4885CA1 3050/4885CA2 564/4885
US-20200157050-A1 KCNQ2-5 CHANNEL ACTIVATOR KCNQ5, KCNQ2, KCNQ1 HSD11B1 4314/4885CA1 3050/4885CA2 564/4885
US-20070021502-A1 Aniline sulfonamide derivatives and their uses ARSA, SULT2A1, SULT1A1 HSD11B1 680/4885CA1 4627/4885CA2 3643/4885
US-20180346422-A1 KCNQ2-5 CHANNEL ACTIVATOR KCNQ5, KCNQ2, KCNQ1 HSD11B1 4314/4885CA1 3050/4885CA2 564/4885
US-10676438-B2 KCNQ2-5 channel activator KCNQ5, KCNQ2, KCNQ1 HSD11B1 4314/4885CA1 3050/4885CA2 564/4885
US-10196358-B2 KCNQ2-5 channel activator KCNQ5, KCNQ2, KCNQ1 HSD11B1 4314/4885CA1 3050/4885CA2 564/4885

“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.