SCHEMBL7200059

SCHEMBL7200059

CCCc1ccc(C(O)C#Cc2cccs2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
KMT2A Q03164 3/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
ACACB O00763 2/20 0.36
GRM5 P41594 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL7200571 0.92 FFAR1 (0.41) FFAR1KMT2APLA2G1BATG4BGRM5
SCHEMBL7200067 0.89 FFAR1 (0.39) FFAR1KMT2AGRM5SMN1; SMN2MEN1
SCHEMBL7199128 0.83 ALOX5 (0.39) FFAR1GRM5SMN1; SMN2ALDH1A1HPGD
SCHEMBL7204212 0.82 RET (0.37) FFAR1ACACBGRM5ALDH1A1HPGD
SCHEMBL7200475 0.82 FFAR1 (0.36) FFAR1GRM5ALDH1A1HPGDL3MBTL1
SCHEMBL7204981 0.81 GRM5 (0.43) FFAR1KMT2AGRM5SMN1; SMN2MEN1
SCHEMBL7199032 0.81 GRM5 (0.40) FFAR1KMT2AACACBGRM5SMN1; SMN2
SCHEMBL7203626 0.80 NPC1 (0.43) KMT2AACACBSMN1; SMN2MEN1LMNA
SCHEMBL7201711 0.80 RAB9A (0.44) KMT2AACACBSMN1; SMN2MEN1TRPM8
SCHEMBL7205975 0.79 AHR (0.39) FFAR1KMT2AGRM5SMN1; SMN2MEN1

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 FFAR1 1261/4885KMT2A 3922/4885PLA2G1B 4573/4885

“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.