SCHEMBL7204212

SCHEMBL7204212

COCc1ccc(C(O)C#Cc2cccs2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.37
FFAR1 O14842 1/20 0.36
ALOX5 P09917 5/20 0.36
GRM5 P41594 1/20 0.35
TSHR P16473 1/20 0.33
ERN1 O75460 1/20 0.33
ACACB O00763 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DPP4 P27487 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
RAB9A P51151 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
SCHEMBL7199128 0.87 ALOX5 (0.39) RETFFAR1ALOX5GRM5TSHR
SCHEMBL7200067 0.85 FFAR1 (0.39) FFAR1GRM5TSHRALDH1A1HPGD
SCHEMBL7200059 0.82 FFAR1 (0.43) FFAR1GRM5ACACBALDH1A1HPGD
SCHEMBL6754843 0.82 ALDH1A1 (0.38) GRM5TSHRERN1ACACBALDH1A1
SCHEMBL7203679 0.82 ACACB (0.38) FFAR1GRM5TSHRERN1ACACB
SCHEMBL7200475 0.81 FFAR1 (0.36) FFAR1ALOX5GRM5ALDH1A1HPGD
SCHEMBL7205975 0.81 AHR (0.39) FFAR1GRM5TSHRERN1ALDH1A1
SCHEMBL7200571 0.80 FFAR1 (0.41) FFAR1GRM5ALDH1A1HPGDMAPT
SCHEMBL7204981 0.80 GRM5 (0.43) FFAR1GRM5ERN1ALDH1A1HPGD
SCHEMBL7199032 0.80 GRM5 (0.40) FFAR1ALOX5GRM5ERN1ACACB

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 RET 4239/4885FFAR1 1261/4885ALOX5 299/4885

“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.