SCHEMBL3230435

SCHEMBL3230435

C#CCOc1c(F)cc(C(=O)Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.39
HTT P42858 3/20 0.39
PLAU P00749 2/20 0.38
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ATM Q13315 1/20 0.34
LMNA P02545 3/20 0.33
CYP2B6 P20813 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL2285882 0.91 NPC1 (0.35) HTTPOLBMAOAMAOBLMNA
SCHEMBL3225429 0.88 PLAU (0.51) SCN9AHTTPLAUPOLBALOX15
SCHEMBL3226310 0.87 ATM (0.43) SCN9AHTTPLAUPOLBALOX15
SCHEMBL10347561 0.84 HTT (0.50) HTTPLAUPOLBALOX15LMNA
SCHEMBL3289575 0.82 HTT (0.44) HTTLMNACYP2B6GAAMEN1
SCHEMBL2287267 0.76 NPC1 (0.40) HTTPLAUPOLBALOX15MAOA
SCHEMBL2294976 0.76 NPC1 (0.37) SCN9AHTTALOX15ALDH1A1NPC1
SCHEMBL12377614 0.75 HTT (0.36) HTTPOLBALOX15MAOAMAOB
Hydrochloric Acid SCHEMBL4246132 0.75 NPC1 (0.39) HTTPLAUPOLBALOX15MAOA
SCHEMBL2287363 0.75 NPC1 (0.46) MAOAMAOBATMLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
EP-2151431-A1 AMIDE COMPOUND AND USE THEREOF 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-20100069499-A1 AMIDE COMPOUND AND USE THEREOF CBR1, CBR3, GBA1 SCN9A 2326/4885HTT 4277/4885PLAU 4846/4885

“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.