SCHEMBL2292223

SCHEMBL2292223

C#CCOc1cc(F)c(C(=O)NCC2CCCCC2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
SCN9A Q15858 14/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42
SCN5A Q14524 2/20 0.42
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL2285976 0.90 NPC1 (0.56) NPC1RAB9ASCN9ATDP1POLB
SCHEMBL2289721 0.83 NPC1 (0.46) NPC1RAB9ATDP1POLBPDE10A
SCHEMBL4253070 0.83 HDAC6 (0.49) NPC1RAB9ATDP1POLB
SCHEMBL4248441 0.82 HDAC6 (0.47) NPC1RAB9ATDP1POLB
SCHEMBL4249693 0.80 AR (0.46) TDP1POLB
SCHEMBL2290146 0.79 DHODH (0.43) SCN9ASCN5A
SCHEMBL4240818 0.79 TDP1 (0.53) NPC1RAB9ATDP1POLB
SCHEMBL2286920 0.79 P2RX7 (0.48)
SCHEMBL2295872 0.78 SCN9A (0.40) NPC1RAB9ASCN9ASCN5A
SCHEMBL2295312 0.78 TAS1R3 (0.47) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999136-B2 Amide compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-16 US disclosed
US-7999136-B2 Amide compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-16 US disclosed
US-7999136-B2 Amide compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-16 US disclosed
US-20100056640-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20100056640-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20100056640-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
EP-2143709-A1 AMIDE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2010-01-13 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 (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-20100056640-A1 AMIDE COMPOUND AND USE THEREOF NAT1, AGXT, HAX1 NPC1 435/4885RAB9A 236/4885SCN9A 1038/4885

“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.