SCHEMBL7205541

SCHEMBL7205541

O=C(C#Cc1cccs1)c1ccccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 5/20 0.56
WNT3A P56704 5/20 0.56
LMNA P02545 5/20 0.43
GAA P10253 2/20 0.43
HTT P42858 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 1/20 0.39
SCD O00767 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7199134 0.81 CTNNB1 (0.50) CTNNB1WNT3ALMNAGAAALOX15
SCHEMBL29693871 0.81 CTNNB1 (0.50) CTNNB1WNT3ALMNAGAAALOX15
SCHEMBL28454253 0.78 RAB9A (0.50) LMNAGAAHTTALOX15SMN1; SMN2
SCHEMBL7203229 0.78 TP53 (0.47) LMNAGAAALOX15MAPTSMN1; SMN2
SCHEMBL7200317 0.77 CES2 (0.44) RAB9A
SCHEMBL28672048 0.74 MAPK1 (0.43) LMNAGAAHTTMAPTSMN1; SMN2
SCHEMBL7202747 0.73 HSP90AA1 (0.49) LMNAHTTALOX15MAPTSMN1; SMN2
SCHEMBL28502889 0.73 FFAR1 (0.44) CTNNB1WNT3ALMNAGAAMAPT
SCHEMBL29625158 0.73 NPC1 (0.51) LMNAALOX15MAPTSMN1; SMN2RAB9A
SCHEMBL28745771 0.73 NPC1 (0.51) LMNAALOX15MAPTSMN1; SMN2RAB9A

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 CTNNB1 2248/4885WNT3A 2751/4885LMNA 4048/4885

“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.