SCHEMBL7062222

SCHEMBL7062222

Cc1cc(F)c(F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.48
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
CYP3A4 P08684 1/20 0.39
LMNA P02545 1/20 0.38
PTGS2 P35354 4/20 0.38
PTGS1 P23219 2/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
RAPGEF4 Q8WZA2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL11043190 0.86 CD44 (0.46) CD44GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7550920 0.86 CD44 (0.46) CD44GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9918976 0.86 CD44 (0.46) CD44GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8860053 0.86 CD44 (0.46) CD44GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL762587 0.80 KDM1A (0.39) CD44CYP3A4LMNAPOLBAPEX1
SCHEMBL5390700 0.79 CD44 (0.65) CD44GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20182545 0.79 CD44 (0.41) CD44GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18617511 0.79 LMNA (0.52) CD44GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6722803 0.79 KDM1A (0.46) CD44GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL363712 0.79 KDM1A (0.44) CD44GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103996872-A Lithium ion battery non-aqueous electrolyte with functions of overcharging prevention and flame retardancy ZHUHAI SMOOTHWAY ELECTRONIC MATERIALS CO LTD 2014-08-20 CN claimed
EP-1094053-B1 Method of preparing fluoroaromatic compounds ZELINSKY INST OF ORGANIC CHEMI (RU) 2003-05-21 EP claimed
EP-1094053-A1 Method of preparing fluoroaromatic compounds Zelinsky Institute of Organic Chemistry (RU) 2001-04-25 EP claimed
US-6008407-A REACTING CHLOROTRIFLUOROETHYLENE AND 1,3-BUTADIENE TO PRODUCE CHLOROTRIFLUOROCYCLOHEXENES, DEHYDROHALOGENATING THE MIXTURE OF CYCLOHEXENES WITH PHASE TRANSFER CATALYST IN PRESENCE OF ALKALI METAL HYDROXIDE WITHOUT SOLVENT ZELINSKY INSTITUTE OF ORGANIC CHEMISTRY (RU) 1999-12-28 US claimed
WO-2023200441-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2023-10-19 WO disclosed
WO-2023196454-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2023-10-12 WO disclosed
US-20170334846-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-11-23 US disclosed
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-9433626-B2 Pyrido[4,3-B]indole and pyrido[3,4-B]indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-20150335654-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-11-26 US disclosed
US-20150259344-A1 IMIDAZOLE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-09-17 US disclosed
US-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2015-02-19 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed
WO-2005030796-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-04-07 WO disclosed
EP-1094053-B1 Method of preparing fluoroaromatic compounds ZELINSKY INST OF ORGANIC CHEMI (RU) 2003-05-21 EP disclosed
EP-1094053-A1 Method of preparing fluoroaromatic compounds Zelinsky Institute of Organic Chemistry (RU) 2001-04-25 EP disclosed
EP-1094053-A1 Method of preparing fluoroaromatic compounds Zelinsky Institute of Organic Chemistry (RU) 2001-04-25 EP disclosed
US-6008407-A REACTING CHLOROTRIFLUOROETHYLENE AND 1,3-BUTADIENE TO PRODUCE CHLOROTRIFLUOROCYCLOHEXENES, DEHYDROHALOGENATING THE MIXTURE OF CYCLOHEXENES WITH PHASE TRANSFER CATALYST IN PRESENCE OF ALKALI METAL HYDROXIDE WITHOUT SOLVENT ZELINSKY INSTITUTE OF ORGANIC CHEMISTRY (RU) 1999-12-28 US disclosed
US-6008407-A REACTING CHLOROTRIFLUOROETHYLENE AND 1,3-BUTADIENE TO PRODUCE CHLOROTRIFLUOROCYCLOHEXENES, DEHYDROHALOGENATING THE MIXTURE OF CYCLOHEXENES WITH PHASE TRANSFER CATALYST IN PRESENCE OF ALKALI METAL HYDROXIDE WITHOUT SOLVENT ZELINSKY INSTITUTE OF ORGANIC CHEMISTRY (RU) 1999-12-28 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 (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-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A CD44 3749/4885GRIN2D 19/4885GRIN3B 28/4885
US-20150259344-A1 IMIDAZOLE DERIVATIVE CHRNA4, CHRNB4, CHRNA7 CD44 3143/4885GRIN2D 383/4885GRIN3B 135/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL CD44 4823/4885GRIN2D 4477/4885GRIN3B 3622/4885
US-20170334846-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS GLRA1, AGXT, B4GALT1 CD44 2570/4885GRIN2D 65/4885GRIN3B 75/4885
US-20150335654-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR3B, HTR4, HTR2C CD44 4393/4885GRIN2D 25/4885GRIN3B 31/4885

“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.