SCHEMBL7205464

SCHEMBL7205464

CSc1ccc(C(O)C#Cc2cccs2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.40
GRM5 P41594 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACACB O00763 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A4 P31645 1/20 0.33
CACNA2D1 P54289 1/20 0.31

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
SCHEMBL7199032 0.83 GRM5 (0.40) ALOX5GRM5ALDH1A1HTTMAPT
SCHEMBL7204981 0.83 GRM5 (0.43) GRM5ALDH1A1HTTMAPTPKM
SCHEMBL7200475 0.82 FFAR1 (0.36) ALOX5GRM5ALDH1A1HTTMAPT
SCHEMBL7205975 0.81 AHR (0.39) GRM5ALDH1A1HTTTSHRMAPT
SCHEMBL7205217 0.81 ALDH1A1 (0.43) GRM5ALDH1A1HTTTSHRMAPT
SCHEMBL7200438 0.80 MAPT (0.37) GRM5ALDH1A1HTTTSHRMAPT
SCHEMBL7200042 0.80 ADK (0.43) GRM5ALDH1A1HTTMAPTPKM
SCHEMBL7200071 0.80 ALDH1A1 (0.37) ALOX5GRM5ALDH1A1HTTMAPT
SCHEMBL7201347 0.80 ALDH1A1 (0.37) GRM5ALDH1A1HTTTSHRMAPT
SCHEMBL6754843 0.79 ALDH1A1 (0.38) GRM5ALDH1A1TSHRMAPTPKM

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 ALOX5 299/4885GRM5 1963/4885ALDH1A1 1476/4885

“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.