SCHEMBL2639641

SCHEMBL2639641

C(=C/c1ccnc(/C=C/c2ccccc2)n1)\c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 10/20 0.66
HDAC6 Q9UBN7 2/20 0.66
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
PKM P14618 2/20 0.50
GRM5 P41594 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
CYP2C19 P33261 1/20 0.50
THPO P40225 1/20 0.50

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
SCHEMBL2639642 1.00 GRM4 (0.66) GRM4HDAC6KDM4EALDH1A1MEN1
SCHEMBL9531174 0.83 GRM4 (0.47) GRM4HDAC6KDM4EALDH1A1MEN1
SCHEMBL31147204 0.79 GRM4 (1.00) GRM4HDAC6KDM4EALDH1A1MEN1
SCHEMBL9324362 0.79 GRM4 (0.64) GRM4HDAC6KDM4EALDH1A1MEN1
SCHEMBL29432563 0.79 NPC1 (0.55) GRM4HDAC6KDM4EALDH1A1MEN1
SCHEMBL16608254 0.79 GRM4 (0.64) GRM4HDAC6KDM4EALDH1A1MEN1
SCHEMBL17687836 0.79 GRM4 (0.46) GRM4HDAC6KDM4EALDH1A1MEN1
SCHEMBL17687911 0.79 GRM4 (0.46) GRM4HDAC6KDM4EALDH1A1MEN1
SCHEMBL9323564 0.79 GRM4 (0.54) GRM4HDAC6KDM4EALDH1A1MEN1
SCHEMBL17687981 0.79 GRM4 (0.46) GRM4HDAC6KDM4EALDH1A1MEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410116-B2 Bis(styryl)pyrimidine or bis(styryl)benzene compounds, pharmaceutically acceptable salts thereof, preparation method thereof, and pharmaceutical composition for prevention or treatment of diseases featuring amyloids comprising the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-04-02 US claimed
US-20100190803-A1 BIS(STYRYL)PYRIMIDINE OR BIS(STYRYL)BENZENE COMPOUNDS, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES FEATURING AMYLOIDS COMPRISING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-07-29 US claimed
US-20190218181-A1 PROCESS FOR THE MANUFACTURE OF HYDROXY-SUBSTITUTED AROMATIC COMPOUNDS BASF PERSONAL CARE AND NUTRITION GMBH (DE) 2019-07-18 US disclosed
EP-3455201-A1 PROCESS FOR THE MANUFACTURE OF HYDROXY-SUBSTITUTED AROMATIC COMPOUNDS BASF SE (DE) 2019-03-20 EP disclosed
WO-2017194590-A1 PROCESS FOR THE MANUFACTURE OF HYDROXY-SUBSTITUTED AROMATIC COMPOUNDS BASF SE (DE) 2017-11-16 WO disclosed
US-8410116-B2 Bis(styryl)pyrimidine or bis(styryl)benzene compounds, pharmaceutically acceptable salts thereof, preparation method thereof, and pharmaceutical composition for prevention or treatment of diseases featuring amyloids comprising the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-04-02 US disclosed
US-8410116-B2 Bis(styryl)pyrimidine or bis(styryl)benzene compounds, pharmaceutically acceptable salts thereof, preparation method thereof, and pharmaceutical composition for prevention or treatment of diseases featuring amyloids comprising the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-04-02 US disclosed
US-8410116-B2 Bis(styryl)pyrimidine or bis(styryl)benzene compounds, pharmaceutically acceptable salts thereof, preparation method thereof, and pharmaceutical composition for prevention or treatment of diseases featuring amyloids comprising the same as an active ingredient KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-04-02 US disclosed
JP-2010168344-A BIS(STYRYL)PYRIMIDINE AND BIS(STYRYL)BENZENE DERIVATIVE, PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF, PRODUCTION METHOD THEREOF, AND PREVENTIVE OR THERAPEUTIC MEDICINAL COMPOSITION FOR β AMYLOID-ACCUMULATION-RELATED DISEASE COMPRISING THE SAME AS EFFECTIVE INGREDIENT KOREA INST OF SCIENCE & TECHNOLOGY 2010-08-05 JP disclosed
US-20100190803-A1 BIS(STYRYL)PYRIMIDINE OR BIS(STYRYL)BENZENE COMPOUNDS, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES FEATURING AMYLOIDS COMPRISING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-07-29 US disclosed
US-20100190803-A1 BIS(STYRYL)PYRIMIDINE OR BIS(STYRYL)BENZENE COMPOUNDS, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES FEATURING AMYLOIDS COMPRISING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-07-29 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 (2 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-20190218181-A1 PROCESS FOR THE MANUFACTURE OF HYDROXY-SUBSTITUTED AROMATIC COMPOUNDS HPD, HAAO, PAH GRM4 4315/4885HDAC6 4181/4885KDM4E 302/4885
US-20100190803-A1 BIS(STYRYL)PYRIMIDINE OR BIS(STYRYL)BENZENE COMPOUNDS, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES FEATURING AMYLOIDS COMPRISING THE SAME AS AN ACTIVE INGREDIENT PSEN1, APP, BACE1 GRM4 4302/4885HDAC6 4329/4885KDM4E 2848/4885

“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.