SCHEMBL7205459

SCHEMBL7205459

Cc1ccc(C(O)C#Cc2cccs2)c(S)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.38
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.30
ERN1 O75460 1/20 0.30

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
SCHEMBL7200471 0.83 GRM5 (0.35) GRM5ALDH1A1MAPTPKMHPGD
SCHEMBL7204981 0.77 GRM5 (0.43) GRM5ALDH1A1MAPTPKMHPGD
SCHEMBL7200890 0.76 GRM5 (0.40) GRM5ALDH1A1MAPTPKMHPGD
SCHEMBL7203633 0.73 GRM5 (0.40) GRM5ALDH1A1MAPTPKMHPGD
SCHEMBL7205033 0.72 ADK (0.37) GRM5ALDH1A1MAPTPKMHPGD
SCHEMBL7204265 0.72 CES2 (0.37) GRM5ALDH1A1MAPTPKMHPGD
SCHEMBL7205969 0.70 GRM5 (0.38) GRM5ALDH1A1MAPTHPGDHTT
SCHEMBL7202374 0.70 ALDH1A1 (0.39) GRM5ALDH1A1MAPTPKMHPGD
SCHEMBL7205549 0.70 HPGD (0.39) GRM5ALDH1A1MAPTPKMHPGD
SCHEMBL7203377 0.70 TRPA1 (0.37)

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 GRM5 1963/4885ALDH1A1 1476/4885MAPT 4683/4885

“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.