SCHEMBL7202736

SCHEMBL7202736

O=C(C#Cc1cccs1)c1c(F)cc(C(F)(F)F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.38
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
MAPT P10636 4/20 0.35
TP53 P04637 2/20 0.35
GAA P10253 2/20 0.35
TRPA1 O75762 7/20 0.35
FFAR1 O14842 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33

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
SCHEMBL7200524 0.86 ALDH1A1 (0.37) GRM5MAPTTP53GAAFFAR1
SCHEMBL7199658 0.83 CES2 (0.41) GRM5TP53FFAR1MEN1KMT2A
SCHEMBL7200317 0.80 CES2 (0.44) GRM5FFAR1RAB9ATLR7
SCHEMBL7206581 0.73 CES2 (0.43) GRM5MAPTFFAR1NPSR1MEN1
SCHEMBL7200553 0.73 GRM5 (0.40) GRM5CNR2CNR1MAPTTP53
SCHEMBL7199134 0.73 CTNNB1 (0.50) MAPTGAAFFAR1MEN1KMT2A
SCHEMBL29693871 0.73 CTNNB1 (0.50) MAPTGAAFFAR1MEN1KMT2A
SCHEMBL7204989 0.72 CES2 (0.45) MAPTTP53GAAFFAR1PKM
SCHEMBL7205541 0.72 CTNNB1 (0.56) MAPTTP53GAAMEN1KMT2A
SCHEMBL28502889 0.71 FFAR1 (0.44) GRM5MAPTGAAFFAR1MEN1

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 1963/4885CNR2 17/4885CNR1 11/4885

“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.