SCHEMBL321574

SCHEMBL321574

Cc1ccccc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.50
RORC P51449 1/20 0.50
RORB Q92753 1/20 0.50
HTR7 P34969 3/20 0.47
MAOB P27338 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
PDK2 Q15119 1/20 0.46
HTR1A P08908 1/20 0.46
IKBKB O14920 1/20 0.45
BRD4 O60885 1/20 0.45
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
GAA P10253 1/20 0.44
KCNA3 P22001 1/20 0.44
PTPN5 P54829 2/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL17840165 0.86 RORC (0.57) RORCRORBHTR7MAOBADORA2A
SCHEMBL26375402 0.85 SLC1A3 (0.50) RORCRORBHTR7ADORA2AADORA1
SCHEMBL2228777 0.84 RORC (0.43) RORCRORBHTR7MAOBADORA2A
SCHEMBL28667956 0.82 ADORA2A (0.54) RORCRORBHTR7MAOBADORA2A
SCHEMBL12629284 0.82 SLC1A3 (0.48) RORCRORBHTR7ADORA2AADORA1
SCHEMBL10094660 0.81 SLC1A3 (0.47) RORCRORBHTR7ADORA2AADORA1
SCHEMBL11434303 0.80 RORC (0.39) ARRORCRORBHTR7MAOB
SCHEMBL11434886 0.80 MAOB (0.41) RORCRORBMAOBSLC1A3SLC1A2
SCHEMBL10094733 0.80 HTR7 (0.46) ARHTR7PDK2HTR1APTPN5
SCHEMBL26375017 0.80 AR (0.49) ARPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108883122-A C-glycoside compounds useful for the treatment of diseases 菲姆布里昂医疗公司 2018-11-23 CN claimed
US-11773127-B2 Compounds and methods for treating bacterial infections WASHINGTON UNIVERSITY (US) 2023-10-03 US disclosed
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
EP-3395795-B1 MALONONITRILE OXIME ETHER COMPOUND AND USE THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2023-07-19 EP disclosed
US-20210171563-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS WASHINGTON UNIVERSITY (US) 2021-06-10 US disclosed
EP-3495349-A1 (HETERO)ARYL CYCLOPROPYLAMINE COMPOUNDS AS LSD1 INHIBITORS Oryzon Genomics, S.A. (ES) 2019-06-12 EP disclosed
CN-108883122-A C-glycoside compounds useful for the treatment of diseases 菲姆布里昂医疗公司 2018-11-23 CN disclosed
WO-2013050938-A1 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-04-11 WO 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-2318367-B1 PIPERIDINE AND PYRROLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-03-20 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
US-6924301-B1 Composition for treating or preventing arrhythmia SHIONOGI & CO., LTD. (JP) 2005-08-02 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-0976748-B1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2003-12-03 EP disclosed
EP-1240906-A1 PREVENTIVES OR REMEDIES FOR ARRHYTHMIA SHIONOGI & CO., LTD. (JP) 2002-09-18 EP disclosed
EP-1122234-A9 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2002-01-16 EP disclosed
US-20010020110-A1 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SUMIKA FINE CHEMICALS CO., LTD. (JP) 2001-09-06 US disclosed
EP-1122234-A2 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2001-08-08 EP disclosed
US-6147100-A ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
EP-0976748-A1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2000-02-02 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 (5 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 AR 254/4885RORC 19/4885RORB 18/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 AR 1888/4885RORC 2090/4885RORB 2042/4885
US-20210171563-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MMP8, ELANE, MPO AR 2458/4885RORC 1035/4885RORB 1614/4885
US-20010020110-A1 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SLC6A11, CYP4F11, SLC39A11 AR 4294/4885RORC 2555/4885RORB 3158/4885
US-11773127-B2 Compounds and methods for treating bacterial infections MMP8, ELANE, MPO AR 2458/4885RORC 1035/4885RORB 1614/4885

“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.