SCHEMBL2292163

SCHEMBL2292163

C#CCOc1c(F)cc(C(=O)NCC2(C#N)CCCCC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.40
P2RX7 Q99572 1/20 0.39
TP53 P04637 2/20 0.39
SLC6A5 Q9Y345 5/20 0.38
SCN9A Q15858 3/20 0.37
NPC1 O15118 1/20 0.36
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL2287126 0.85 P2RX7 (0.45) P2RX7TP53SLC6A5
SCHEMBL4249769 0.84 TP53 (0.43) TP53SLC6A5NPC1CTSLCTSS
SCHEMBL2289794 0.83 SLC6A5 (0.41) P2RX7TP53SLC6A5NPC1
SCHEMBL2289214 0.83 TP53 (0.58) TP53SLC6A5
SCHEMBL2284983 0.82 CNR2 (0.40) P2RX7TP53SLC6A5NPC1
SCHEMBL4251464 0.82 CTSL (0.39) NPC1CTSLCTSSCTSKPOLB
SCHEMBL2285014 0.81 TP53 (0.43) TP53SLC6A5NPC1
SCHEMBL2292161 0.80 LMNA (0.57) POLB
SCHEMBL2289887 0.80 CNR2 (0.38) P2RX7TP53SLC6A5
SCHEMBL4244884 0.80 CTSK (0.40) TP53SLC6A5CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003699-B2 Amide compound and use thereof for controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-04-29 US disclosed
EP-2151432-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES Sumitomo Chemical Company, Limited (JP) 2010-02-10 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-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES CYC1, CBR3, CBR1 KCNH2 2723/4885P2RX7 3146/4885TP53 4023/4885

“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.