SCHEMBL649565

SCHEMBL649565

FC(F)(F)c1c[nH]c(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPBWR1 P48145 1/20 0.41
DGAT1 O75907 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN2A Q99250 3/20 0.39
MTOR P42345 1/20 0.38
ADK P55263 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
MAPK13 O15264 1/20 0.38
RAF1 P04049 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
KIF11 P52732 1/20 0.38
PTGS1 P23219 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL11623789 0.90 HPGD (0.43) HPGDHSD17B10KDM4ENPBWR1DGAT1
SCHEMBL11625133 0.83 KIF11 (0.44) HPGDHSD17B10KDM4ELMNAMAPK13
SCHEMBL26093883 0.83 KDM4E (0.44) HPGDHSD17B10KDM4ELMNAPOLB
SCHEMBL8797359 0.83 GFER (0.50) HPGDKDM4ENPBWR1DGAT1KCNH2
SCHEMBL11626212 0.81 KIF11 (0.42) HPGDHSD17B10KDM4ELMNAPOLB
SCHEMBL27731893 0.81 NPBWR1 (0.44) HPGDNPBWR1NISCHPTGS1SDHB
SCHEMBL27731900 0.81 KDM4E (0.45) HPGDHSD17B10KDM4ELMNAMAPK13
SCHEMBL3468298 0.81 HPGD (0.38) HPGD
SCHEMBL3095172 0.81 HPGD (0.38) HPGDKDM4EDGAT1KCNH2POLB
SCHEMBL16661274 0.81 KDM4E (0.45) HPGDKDM4EDGAT1LMNAMAPK13

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
EP-3191449-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-07-19 EP disclosed
WO-2016037578-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-17 WO disclosed
US-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US disclosed
EP-2461688-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2012-06-13 EP disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
WO-2011017513-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2011-02-10 WO disclosed
CN-101239981-B Pyrazolo and imidazo-pyrimidine derivatives HOFFMANN LA ROCHE 2011-01-19 CN disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 US disclosed
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-29 EP disclosed
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 US disclosed
CN-1153766-C Nitroketone compound, its preparing process and pharmaceutical composition containing same ɪά��ʵ���� 2004-06-16 CN disclosed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO disclosed
EP-0967207-B1 Nitrone derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-09-11 EP disclosed
CN-1245169-A Nitroketone compound, its preparing process and pharmaceutical composition containing same ADIR (FR) 2000-02-23 CN disclosed
JP-2000026428-A NEW NITRONE COMPOUND, ITS PRODUCTION AND MEDICAL COMPOSITION CONTAINING THE SAME ADIR 2000-01-25 JP disclosed
EP-0967207-A1 Nitrone derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-12-29 EP disclosed
US-4125530-A FROM 1,1-DIHALO-3,3,3-TRIFLUOROACETONE, BASE, AMMONIA AND A CARBOXALDEHYDE MERCK & CO., INC. (US) 1978-11-14 US disclosed
US-4032522-A ANTI-GOUT, ANTI-HYPERURICEMIC MERCK & CO., INC. (US) 1977-06-28 US 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 (1 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-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1I2 HPGD 526/4885HSD17B10 477/4885KDM4E 2097/4885

“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.