SCHEMBL7201347

SCHEMBL7201347

OC(C#Cc1cccs1)c1ccc(I)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRM5 P41594 1/20 0.36
FFAR1 O14842 1/20 0.33
CACNA2D1 P54289 1/20 0.30
CACNB2 Q08289 1/20 0.30
CACNA1C Q13936 1/20 0.30
TSHR P16473 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
SCHEMBL7205975 0.85 AHR (0.39) ALDH1A1MAPTPKMHPGDHTT
SCHEMBL7205217 0.85 ALDH1A1 (0.43) ALDH1A1MAPTPKMHPGDHTT
SCHEMBL7200042 0.84 ADK (0.43) ALDH1A1MAPTPKMHPGDHTT
SCHEMBL7204981 0.84 GRM5 (0.43) ALDH1A1MAPTPKMHPGDHTT
SCHEMBL7200438 0.84 MAPT (0.37) ALDH1A1MAPTPKMHPGDHTT
SCHEMBL7200071 0.84 ALDH1A1 (0.37) ALDH1A1MAPTPKMHPGDHTT
SCHEMBL7199032 0.84 GRM5 (0.40) ALDH1A1MAPTPKMHPGDHTT
SCHEMBL7206558 0.83 MAPT (0.39) ALDH1A1MAPTPKMHPGDHTT
SCHEMBL7202022 0.81 GRM5 (0.41) ALDH1A1MAPTPKMHPGDHTT
SCHEMBL6754843 0.80 ALDH1A1 (0.38) ALDH1A1MAPTPKMHPGDNPSR1

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 ALDH1A1 1476/4885MAPT 4683/4885PKM 2899/4885

“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.