SCHEMBL7203450

SCHEMBL7203450

CCCOc1ccc(C(=O)C#Cc2cccs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NLRP3 Q96P20 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 3/20 0.47
LMNA P02545 1/20 0.47
PLK1 P53350 1/20 0.46
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL7854744 0.92 MEN1 (0.45) MEN1KMT2ANLRP3L3MBTL1TP53
SCHEMBL7206337 0.90 RAB9A (0.57) MEN1KMT2ATP53LMNAPLK1
SCHEMBL7199988 0.85 RAB9A (0.42) MEN1KMT2ANLRP3L3MBTL1TP53
SCHEMBL7200878 0.82 APP (0.54) MEN1KMT2AL3MBTL1TP53RAB9A
SCHEMBL7855707 0.82 CYP1A1 (0.52) MEN1KMT2ATP53LMNAPLK1
SCHEMBL7204514 0.82 HPGD (0.42) MEN1KMT2ANLRP3L3MBTL1TP53
SCHEMBL7843701 0.81 RAB9A (0.43) MEN1KMT2AL3MBTL1LMNARAB9A
SCHEMBL7200085 0.81 CHRNB2 (0.42) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7207752 0.80 FFAR1 (0.49) MEN1KMT2AL3MBTL1LMNAPLK1
SCHEMBL7200084 0.80 RAB9A (0.50) MEN1KMT2ATP53LMNAPLK1

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 2 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

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 MEN1 4820/4885KMT2A 3922/4885NLRP3 2545/4885

“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.