SCHEMBL7204540

SCHEMBL7204540

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 1/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
CTNNB1 P35222 2/20 0.47
WNT3A P56704 1/20 0.46
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.46
MAPT P10636 5/20 0.46
LMNA P02545 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 2/20 0.45
CRHBP P24387 1/20 0.45
HTT P42858 1/20 0.45
CRHR2 Q13324 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL7204224 0.88 KMT2A (0.49) POLBNPC1RAB9AHPGDTSHR
SCHEMBL7199098 0.84 KCNA5 (0.54) POLBNPC1RAB9AHPGDTSHR
SCHEMBL7204970 0.83 PTPN1 (0.55) POLBNPC1RAB9AERCC5FEN1
SCHEMBL7200031 0.82 RAB9A (0.72) POLBNPC1RAB9AHPGDTSHR
SCHEMBL7200598 0.80 KMT2A (0.66) POLBNPC1RAB9AHPGDTSHR
SCHEMBL7201263 0.80 NPC1 (0.53) POLBNPC1RAB9AHPGDTSHR
SCHEMBL7204933 0.80 NPC1 (0.50) POLBNPC1RAB9AHPGDTSHR
SCHEMBL15227842 0.79 L3MBTL1 (0.68) NPC1RAB9AHPGDKMT2AMEN1
SCHEMBL7207234 0.79 NPC1 (0.49) POLBNPC1RAB9AHPGDTSHR
SCHEMBL7205472 0.78 MAPT (0.60) POLBNPC1RAB9AHPGDTSHR

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 POLB 4420/4885NPC1 395/4885RAB9A 1643/4885

“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.