SCHEMBL7204585

SCHEMBL7204585

O=C(C#Cc1cccs1)c1ccc(I)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.51
FFAR1 O14842 1/20 0.38
VCP P55072 1/20 0.38
TPMT P51580 1/20 0.37
GRM5 P41594 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
PIN1 Q13526 1/20 0.35
HSP90AA1 P07900 2/20 0.35
NTSR1 P30989 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
GSK3B P49841 1/20 0.33
LMNA P02545 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
SCHEMBL7845479 0.93 VCP (0.50) APPFFAR1VCPGRM5ALDH1A1
SCHEMBL7200606 0.85 APP (0.49) APPFFAR1VCPGRM5PIN1
SCHEMBL7202747 0.85 HSP90AA1 (0.49) FFAR1VCPGRM5PIN1HSP90AA1
SCHEMBL7201310 0.84 VCP (0.57) FFAR1VCPGRM5ALDH1A1MEN1
SCHEMBL7203532 0.84 MAPT (0.44) FFAR1VCPGRM5CA1CA2
SCHEMBL7204230 0.84 APP (0.47) APPFFAR1VCPGRM5CA1
SCHEMBL7203523 0.84 RAB9A (0.49) FFAR1VCPALDH1A1MEN1KMT2A
SCHEMBL7205479 0.83 VCP (0.44) FFAR1VCPPIN1HSP90AA1NTSR1
SCHEMBL7200317 0.81 CES2 (0.44) FFAR1GRM5RAB9AGSK3BCES2
SCHEMBL7200084 0.80 RAB9A (0.50) FFAR1VCPGRM5ALDH1A1MEN1

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 3 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

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 APP 4809/4885FFAR1 1261/4885VCP 3297/4885

“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.