SCHEMBL7199032

SCHEMBL7199032

CC(C)c1ccc(C(O)C#Cc2cccs2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.40
MAPT P10636 5/20 0.37
ALDH1A1 P00352 4/20 0.37
HTT P42858 3/20 0.37
HPGD P15428 3/20 0.37
PKM P14618 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CACNA2D1 P54289 1/20 0.36
CACNB2 Q08289 1/20 0.36
CACNA1C Q13936 1/20 0.36
LMNA P02545 2/20 0.36
ALOX12 P18054 1/20 0.36
ACACA Q13085 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL7200042 0.87 ADK (0.43) GRM5MAPTALDH1A1HTTHPGD
SCHEMBL7204981 0.87 GRM5 (0.43) GRM5MAPTALDH1A1HTTHPGD
SCHEMBL7205975 0.85 AHR (0.39) GRM5MAPTALDH1A1HTTHPGD
SCHEMBL7205217 0.85 ALDH1A1 (0.43) GRM5MAPTALDH1A1HTTHPGD
SCHEMBL7201347 0.84 ALDH1A1 (0.37) GRM5MAPTALDH1A1HTTHPGD
SCHEMBL7200438 0.84 MAPT (0.37) GRM5MAPTALDH1A1HTTHPGD
SCHEMBL7200071 0.84 ALDH1A1 (0.37) GRM5MAPTALDH1A1HTTHPGD
SCHEMBL7205027 0.83 GRM5 (0.37) GRM5MAPTALDH1A1HTTHPGD
SCHEMBL7203633 0.83 GRM5 (0.40) GRM5MAPTALDH1A1HTTHPGD
SCHEMBL6754843 0.83 ALDH1A1 (0.38) GRM5MAPTALDH1A1HPGDPKM

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 3 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

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 1963/4885MAPT 4683/4885ALDH1A1 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.