SCHEMBL7204224

SCHEMBL7204224

O=C(CC(=O)c1cccs1)c1ccc(OCC(F)(F)C(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.47
CTNNB1 P35222 1/20 0.46
TSHR P16473 2/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 7/20 0.42
MEN1 O00255 7/20 0.42
LMNA P02545 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
USP2 O75604 1/20 0.41
NLRP3 Q96P20 1/20 0.40

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
SCHEMBL7204540 0.88 POLB (0.50) KMT2AHTTSMN1; SMN2POLBCTNNB1
SCHEMBL7205472 0.80 MAPT (0.60) KMT2AHTTSMN1; SMN2POLBCTNNB1
SCHEMBL7199098 0.80 KCNA5 (0.54) KMT2AHTTSMN1; SMN2POLBCTNNB1
SCHEMBL7200031 0.78 RAB9A (0.72) KMT2AHTTSMN1; SMN2POLBCTNNB1
SCHEMBL7205422 0.77 HTT (0.45) KMT2AHTTSMN1; SMN2POLBTSHR
SCHEMBL7204970 0.76 PTPN1 (0.55) KMT2AHTTSMN1; SMN2POLBCTNNB1
SCHEMBL7204933 0.76 NPC1 (0.50) KMT2ASMN1; SMN2POLBCTNNB1TSHR
SCHEMBL7200598 0.76 KMT2A (0.66) KMT2AHTTSMN1; SMN2POLBCTNNB1
SCHEMBL7201263 0.76 NPC1 (0.53) KMT2ASMN1; SMN2POLBCTNNB1TSHR
SCHEMBL15227842 0.75 L3MBTL1 (0.68) KMT2ASMN1; SMN2HPGDNPC1RAB9A

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 KMT2A 3922/4885HTT 3125/4885SMN1; SMN2 3988/4885

“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.