SCHEMBL5500903

SCHEMBL5500903

FC(F)(F)c1ccc(Cl)c(C[S])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
SLC6A4 P31645 4/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 3/20 0.42
KCNH2 Q12809 3/20 0.42
TRAP1 Q12931 3/20 0.42
PDE2A O00408 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
IDO1 P14902 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90B1 P14625 1/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
CHRNA7 P36544 1/20 0.38
DAO P14920 1/20 0.38
PIEZO1 Q92508 1/20 0.38

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
SCHEMBL146337 0.84 SLC6A4 (0.43) ALDH1A1SLC6A4SLC6A2HTR2AKCNH2
SCHEMBL10656350 0.83 SLC6A4 (0.48) ALDH1A1SLC6A4SLC6A2HTR2AKCNH2
SCHEMBL5436712 0.82 SLC6A4 (0.43) ALDH1A1SLC6A4SLC6A2HTR2AKCNH2
SCHEMBL29594772 0.80 SLC6A4 (0.46) ALDH1A1SLC6A4SLC6A2HTR2AKCNH2
SCHEMBL5500906 0.80 IDO1 (0.43) ALDH1A1SLC6A4SLC6A2HTR2AKCNH2
SCHEMBL271188 0.80 SLC6A4 (0.46) ALDH1A1SLC6A4SLC6A2HTR2AKCNH2
SCHEMBL10050765 0.80 SLC6A4 (0.46) ALDH1A1SLC6A4SLC6A2HTR2AKCNH2
SCHEMBL6152782 0.80 IDO1 (0.43) ALDH1A1SLC6A4SLC6A2HTR2AKCNH2
SCHEMBL5235367 0.80 ALDH1A1 (0.43) ALDH1A1SLC6A4SLC6A2HTR2AKCNH2
SCHEMBL856434 0.80 PNMT (0.43) ALDH1A1SLC6A4SLC6A2HTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1407667-B1 HERBICIDE CONTAINING SUBSTITUTED PYRAZOLE DERIVATIVE AS ACTIVE INGREDIENT SDS BIOTECH CORP (JP) 2007-09-26 EP disclosed
EP-0945437-B1 Pyrazolyl acrylic acid- and pyrazolyl oximino-acetic acid derivatives, their preparation and their use as fungicides SDS BIOTECH CORP (JP) 2006-11-02 EP disclosed
US-6809065-B2 ON ALGAE OR WEEDS; CROP SELECTIVITY SDS BIOTECH K.K. (JP) 2004-10-26 US disclosed
EP-1407667-A1 HERBICIDE CONTAINING SUBSTITUTED PYRAZOLE DERIVATIVE AS ACTIVE INGREDIENT SDS Biotech K.K. (JP) 2004-04-14 EP disclosed
US-20040033898-A1 Herbicide containing substituted pyrazole derivative as active ingredient SDS BIOTECH K.K. (JP) 2004-02-19 US disclosed
EP-0945437-A1 Pyrazolyl acrylic acid- and pyrazolyl oximino-acetic acid derivatives, their preparation and their use as fungicides SDS Biotech K.K. (JP) 1999-09-29 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-20040033898-A1 Herbicide containing substituted pyrazole derivative as active ingredient DDT, SULT2A1, CYP2E1 ALDH1A1 365/4885SLC6A4 3216/4885SLC6A2 4590/4885

“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.