SCHEMBL651503

SCHEMBL651503

CCCCn1c(-c2ccccc2C)nc(C#N)c1CN(Cc1ccc2[nH]ncc2c1)CC1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.35
TRPA1 O75762 2/20 0.35
ROCK2 O75116 6/20 0.33
JAK2 O60674 1/20 0.33
GSK3B P49841 1/20 0.33
BRD4 O60885 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
S1PR1 P21453 1/20 0.31
CRHR1 P34998 1/20 0.31
GRIN1 Q05586 1/20 0.30
BCHE P06276 2/20 0.30
ROCK1 Q13464 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL650170 0.86 TRPA1 (0.37) GRIN2BTRPA1BRD4MEN1KMT2A
SCHEMBL650211 0.82 FNTA (0.37) GSK3BFNTAFNTBCRHR1BCHE
SCHEMBL650156 0.81 C5AR1 (0.42) GRIN2BROCK2JAK2GSK3BROCK1
SCHEMBL14572949 0.76 TRPA1 (0.38) GRIN2BTRPA1ROCK2MEN1KMT2A
SCHEMBL648238 0.76 C5AR1 (0.38) GRIN2BROCK2JAK2MEN1KMT2A
SCHEMBL648229 0.75 TRPA1 (0.39) GRIN2BTRPA1ROCK2BRD4MEN1
SCHEMBL650169 0.74 MEN1 (0.37) TRPA1MEN1KMT2AS1PR1
SCHEMBL650605 0.74 TRPA1 (0.38) GRIN2BTRPA1ROCK2GSK3BBRD4
SCHEMBL652764 0.74 TRPA1 (0.38) TRPA1ROCK2GSK3BMEN1KMT2A
SCHEMBL650190 0.73 ROCK2 (0.38) TRPA1ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10357478-B2 Polyamide compound and pharmaceutical composition for treating mitochondrial genetic diseases TRIPLEX THERAPEUTICS INC. (JP) 2019-07-23 US claimed
US-20170071912-A1 Polyamide Compound and Pharmaceutical Composition for Treating Mitochondrial Genetic Diseases TRIPLEX THERAPEUTICS INC. (JP) 2017-03-16 US claimed
US-9518152-B2 Polyamide compound and pharmaceutical composition for treating mitochondrial genetic disease Yano, Takamitsu (JP) 2016-12-13 US claimed
US-20150191571-A1 POLYAMIDE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR TREATING MITOCHONDRIAL GENETIC DISEASE KNC LABORATORIES CO., LTD. (JP) 2015-07-09 US claimed
EP-2692862-A1 POLYAMIDE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR TREATING MITOCHONDRIAL GENETIC DISEASES Yano, Takamitsu (JP) 2014-02-05 EP claimed
US-8278047-B2 Biopolymer sequencing by hybridization of probes to form ternary complexes and variable range alignment NABSYS, INC. (US) 2012-10-02 US claimed
US-7087378-B1 Design, synthesis and use of specific polyamide DNA-binding ligands CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-08-08 US claimed
US-6958240-B1 Inhibition of major groove DNA binding proteins by modified polyamides CALIFORNIA INSTIUTE OF TECHNOLOGY (US) 2005-10-25 US claimed
US-6472537-B1 POLYMERS FROM PRIMARY AMINE AND CARBOXYLIC ACID SUBSTITUTED PYROLE, HYDROXYPYROLE AND IMIDAZOLE MONOMERS AND HAVING 4-AMINOBUTYRIC ACID LINKER FORMING HAIRPIN TURNS AND OPTION-ALLY AMINO ACID RESIDUES; BINDING TO SPECIFIC CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-10-29 US claimed
US-20250250567-A1 PROTOZOA TRANSCRIPTION FACTOR INHIBITOR THE UNIVERSITY OF TOKYO (JP) 2025-08-07 US disclosed
CN-119677513-A Methods and compounds for modulating genetic disease 设计治疗公司 2025-03-21 CN disclosed
CN-119584961-A Methods and compounds for modulating huntington's disease 设计治疗公司 2025-03-07 CN disclosed
CN-117279636-A Methods and compounds for modulating myotonic muscular dystrophy type 1 设计治疗公司 2023-12-22 CN disclosed
CN-117241805-A Methods and compounds for treating friedel-crafts ataxia 设计治疗公司 2023-12-15 CN disclosed
WO-1998037066-A9 IMPROVED POLYAMIDES FOR BINDING IN THE MINOR GROOVE OF DOUBLE STRANDED DNA 1999-02-04 WO disclosed
WO-1998037067-A1 DESIGN, SYNTHESIS AND USE OF SPECIFIC POLYAMIDE DNA-BINDING LIGANDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-08-27 WO disclosed
WO-1998037066-A1 IMPROVED POLYAMIDES FOR BINDING IN THE MINOR GROOVE OF DOUBLE STRANDED DNA CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-08-27 WO disclosed
WO-1998037066-A1 IMPROVED POLYAMIDES FOR BINDING IN THE MINOR GROOVE OF DOUBLE STRANDED DNA CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-08-27 WO disclosed
WO-1998037067-A1 DESIGN, SYNTHESIS AND USE OF SPECIFIC POLYAMIDE DNA-BINDING LIGANDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-08-27 WO disclosed
WO-1998035702-A1 INHIBITION OF GENE TRANSCRIPTION BY POLYAMIDE DNA-BINDING LIGANDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-08-20 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 (3 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-20150191571-A1 POLYAMIDE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR TREATING MITOCHONDRIAL GENETIC DISEASE POLRMT, TFAM, MT-ATP8 GRIN2B 2320/4885TRPA1 4281/4885ROCK2 3996/4885
US-10357478-B2 Polyamide compound and pharmaceutical composition for treating mitochondrial genetic diseases POLRMT, TFAM, MT-ATP8 GRIN2B 2459/4885TRPA1 4226/4885ROCK2 3970/4885
US-20170071912-A1 Polyamide Compound and Pharmaceutical Composition for Treating Mitochondrial Genetic Diseases POLRMT, TFAM, MT-ATP8 GRIN2B 2459/4885TRPA1 4226/4885ROCK2 3970/4885

“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.