SCHEMBL7201296

SCHEMBL7201296

O=C(CC(=O)c1cccs1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.55
GSK3B P49841 1/20 0.54
ERCC5 P28715 1/20 0.54
FEN1 P39748 1/20 0.54
ALDH1A1 P00352 5/20 0.54
GAA P10253 1/20 0.54
RAB9A P51151 6/20 0.53
NPC1 O15118 4/20 0.53
LMNA P02545 3/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CNR2 P34972 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 2/20 0.49
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL7203066 0.88 ERCC5 (0.56) CTNNB1GSK3BERCC5FEN1ALDH1A1
SCHEMBL7200564 0.85 RAB9A (0.67) CTNNB1GSK3BERCC5FEN1ALDH1A1
SCHEMBL7203112 0.83 RAB9A (0.54) CTNNB1GSK3BERCC5FEN1ALDH1A1
SCHEMBL711360 0.82 RAB9A (0.75) CTNNB1GSK3BERCC5FEN1ALDH1A1
SCHEMBL7205497 0.81 MAPT (0.69) CTNNB1GSK3BERCC5FEN1ALDH1A1
SCHEMBL1436183 0.80 ERCC5 (0.66) CTNNB1GSK3BERCC5FEN1ALDH1A1
SCHEMBL7200435 0.78 CTNNB1 (0.59) CTNNB1GSK3BERCC5FEN1ALDH1A1
SCHEMBL7207201 0.77 RAB9A (0.70) GSK3BERCC5FEN1ALDH1A1GAA
SCHEMBL7200952 0.77 MEN1 (0.58) CTNNB1GSK3BERCC5FEN1ALDH1A1
SCHEMBL3675438 0.75 KMT2A (0.68) GSK3BERCC5FEN1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605730-B2 3-(2-Thienyl)-5-phenyl-1H-pyrazole compounds of given formula NIHON BAYER AGROCHEM K.K. (JP) 2003-08-12 US disclosed
US-20030028034-A1 Nematicidal pyrazoles WADA KATSUAKI (JP) 2003-02-06 US disclosed
US-6310049-B1 3-(2-THIENYL),5-(SUBSTITUTED PHENYL)-1H-PYRAZOLES AND 3-(SUBSTITUTED PHENYL),5-(2-THIENYL)-1H-PYRAZOLES OF GIVEN FORMULA; ANTHELMINTICS NIHON BAYER AGROCHEM K.K. (JP) 2001-10-30 US disclosed
EP-1104418-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2001-06-06 EP disclosed
WO-2000009500-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-24 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 (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-20030028034-A1 Nematicidal pyrazoles CBR3, CBR1, CCR4 CTNNB1 2248/4885GSK3B 4263/4885ERCC5 2903/4885

“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.