SCHEMBL7205422

SCHEMBL7205422

O=C(C#Cc1cccs1)c1ccc(OCC(F)(F)C(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 4/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 1/20 0.36
FFAR1 O14842 1/20 0.34
PIN1 Q13526 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
APP P05067 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7843701 0.88 RAB9A (0.43) HTTSMN1; SMN2KMT2AMAPTTSHR
SCHEMBL7855707 0.80 CYP1A1 (0.52) HTTSMN1; SMN2KMT2AMAPTTSHR
SCHEMBL7200063 0.79 MAPT (0.43) HTTMAPTTSHRRAB9AHPGD
SCHEMBL7206337 0.79 RAB9A (0.57) HTTSMN1; SMN2KMT2AMAPTTSHR
SCHEMBL7199088 0.79 KCNA5 (0.42) KMT2AMAPTRAB9ANPC1MEN1
SCHEMBL7205470 0.78 HTT (0.41) HTTSMN1; SMN2KMT2AMAPTTSHR
SCHEMBL7203450 0.77 MEN1 (0.51) HTTSMN1; SMN2KMT2AMAPTTSHR
SCHEMBL7204514 0.77 HPGD (0.42) KMT2AMAPTTSHRRAB9ANPC1
SCHEMBL7199988 0.77 RAB9A (0.42) HTTSMN1; SMN2KMT2AMAPTTSHR
SCHEMBL7204224 0.77 KMT2A (0.49) HTTSMN1; SMN2KMT2AMAPTTSHR

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 HTT 3125/4885SMN1; SMN2 3988/4885KMT2A 3922/4885

“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.