SCHEMBL7205526

SCHEMBL7205526

O=C(CC(=O)c1cccs1)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.52
POLB P06746 3/20 0.52
ERCC5 P28715 1/20 0.51
FEN1 P39748 1/20 0.51
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
MAPT P10636 5/20 0.50
LMNA P02545 4/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
MAPK1 P28482 1/20 0.48
HTT P42858 2/20 0.48
ALOX12 P18054 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GSK3B P49841 1/20 0.47
GAA P10253 1/20 0.46
CRHBP P24387 1/20 0.46

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
SCHEMBL7206410 0.95 CTNNB1 (0.56) CTNNB1POLBERCC5FEN1MEN1
SCHEMBL28816497 0.94 CTNNB1 (0.55) CTNNB1POLBERCC5FEN1MEN1
SCHEMBL7205003 0.88 ERCC5 (0.58) CTNNB1POLBERCC5FEN1MEN1
SCHEMBL7207744 0.85 NPC1 (0.61) CTNNB1POLBERCC5FEN1MEN1
SCHEMBL15988694 0.83 POLB (0.70) CTNNB1POLBMEN1KMT2AMAPT
SCHEMBL7200952 0.81 MEN1 (0.58) CTNNB1POLBERCC5FEN1MEN1
SCHEMBL1436183 0.80 ERCC5 (0.66) CTNNB1POLBERCC5FEN1MEN1
SCHEMBL7204970 0.80 PTPN1 (0.55) CTNNB1POLBERCC5FEN1MEN1
SCHEMBL711360 0.80 RAB9A (0.75) CTNNB1POLBERCC5FEN1MEN1
SCHEMBL7200564 0.80 RAB9A (0.67) CTNNB1POLBERCC5FEN1MEN1

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 2248/4885POLB 4420/4885ERCC5 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.