SCHEMBL7202012

SCHEMBL7202012

OC(C#Cc1cccs1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.37
ATM Q13315 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACACB O00763 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PDE2A O00408 1/20 0.34
NR1I2 O75469 1/20 0.34
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
MAPT P10636 4/20 0.33
HTT P42858 2/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
GRM5 P41594 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL7204903 0.83 CYP17A1 (0.40) ATMACACBALDH1A1MAPTHTT
SCHEMBL7202022 0.83 GRM5 (0.41) ATMMEN1KMT2AALDH1A1MAPT
SCHEMBL7204098 0.82 MAPT (0.33) ATMMEN1KMT2AACACBALDH1A1
SCHEMBL6754843 0.82 ALDH1A1 (0.38) MEN1KMT2AACACBALDH1A1MAPT
SCHEMBL7205470 0.80 HTT (0.41) ATMMEN1KMT2AACACBALDH1A1
SCHEMBL7200071 0.80 ALDH1A1 (0.37) ATMMEN1KMT2AALDH1A1MAPT
SCHEMBL7201711 0.78 RAB9A (0.44) MEN1KMT2AACACBALDH1A1MAPT
SCHEMBL7205975 0.78 AHR (0.39) ATMMEN1KMT2AALDH1A1MAPT
SCHEMBL7205217 0.78 ALDH1A1 (0.43) ATMACACBALDH1A1MAPTHTT
SCHEMBL7200438 0.77 MAPT (0.37) ATMKMT2AALDH1A1MAPTHTT

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 KCNA5 521/4885ATM 4472/4885MEN1 4820/4885

“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.