SCHEMBL7205027

SCHEMBL7205027

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.37
MAPT P10636 6/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HTT P42858 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 3/20 0.34
ALOX12 P18054 1/20 0.34
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
FFAR1 O14842 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL7202022 0.87 GRM5 (0.41) GRM5MAPTMEN1KMT2AALDH1A1
SCHEMBL7199032 0.83 GRM5 (0.40) GRM5MAPTMEN1KMT2AALDH1A1
SCHEMBL7204981 0.83 GRM5 (0.43) GRM5MAPTMAPK1MEN1KMT2A
SCHEMBL7205975 0.81 AHR (0.39) GRM5MAPTMEN1KMT2AALDH1A1
SCHEMBL7205217 0.81 ALDH1A1 (0.43) GRM5MAPTMAPK1ALDH1A1HTT
SCHEMBL7200042 0.80 ADK (0.43) GRM5MAPTMAPK1MEN1KMT2A
SCHEMBL7201347 0.80 ALDH1A1 (0.37) GRM5MAPTALDH1A1HTTNPSR1
SCHEMBL7200071 0.80 ALDH1A1 (0.37) GRM5MAPTMEN1KMT2AALDH1A1
SCHEMBL7200438 0.80 MAPT (0.37) GRM5MAPTKMT2AALDH1A1HTT
SCHEMBL7203633 0.79 GRM5 (0.40) GRM5MAPTMAPK1MEN1KMT2A

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 4683/4885MAPK1 2877/4885

“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.