SCHEMBL7202358

SCHEMBL7202358

O=C(C#Cc1cccs1)c1cc(Cl)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CNR2 P34972 1/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 3/20 0.39
MEN1 O00255 1/20 0.39
APOBEC3A P31941 1/20 0.39
KMT2A Q03164 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL7202005 0.89 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AERCC5
SCHEMBL7203229 0.84 TP53 (0.47) ALDH1A1TP53SMN1; SMN2ERCC5FEN1
SCHEMBL7203523 0.79 RAB9A (0.49) ALDH1A1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL7205482 0.78 MAPT (0.52) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL7205899 0.78 PARP1 (0.44) ALDH1A1SMN1; SMN2NPC1RAB9AERCC5
SCHEMBL7845827 0.78 CNR2 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9ACNR2
SCHEMBL7832775 0.73 RAB9A (0.43) ALDH1A1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL7199134 0.72 CTNNB1 (0.50) ALDH1A1NPC1RAB9AERCC5FEN1
SCHEMBL29693871 0.72 CTNNB1 (0.50) ALDH1A1NPC1RAB9AERCC5FEN1
SCHEMBL28454253 0.72 RAB9A (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AERCC5

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 ALDH1A1 1476/4885TP53 4681/4885SMN1; SMN2 3988/4885

“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.