SCHEMBL7201996

SCHEMBL7201996

OC(C#Cc1cccs1)c1ccccc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 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
GAA P10253 1/20 0.36
ACP3 P15309 1/20 0.35
GRM5 P41594 2/20 0.34
CYP1A2 P05177 5/20 0.34
TSHR P16473 5/20 0.34
CYP2C19 P33261 5/20 0.34
CYP3A4 P08684 4/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7205549 0.81 HPGD (0.39) ALDH1A1MAPTHPGDHTTCTNNB1
SCHEMBL7202374 0.78 ALDH1A1 (0.39) ALDH1A1MAPTHPGDHTTPKM
SCHEMBL7202022 0.77 GRM5 (0.41) ALDH1A1MAPTHPGDHTTPKM
SCHEMBL7205217 0.73 ALDH1A1 (0.43) ALDH1A1MAPTHPGDHTTPKM
SCHEMBL7200553 0.72 GRM5 (0.40) ALDH1A1MAPTHPGDHTTPKM
SCHEMBL6865448 0.72 MAPT (0.59) ALDH1A1MAPTHPGDHTTPKM
SCHEMBL7204265 0.71 CES2 (0.37) ALDH1A1MAPTHPGDHTTPKM
SCHEMBL6507534 0.71 ACP3 (0.45) ALDH1A1L3MBTL1GAAACP3LMNA
SCHEMBL26080895 0.70 GRM5 (0.41) ALDH1A1MAPTHPGDHTTPKM
SCHEMBL7202343 0.70 HPGD (0.37) ALDH1A1MAPTHPGDHTTPKM

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 4683/4885HPGD 3007/4885

“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.