SCHEMBL7207749

SCHEMBL7207749

Cc1ccc(C(=O)C#Cc2cccs2)c(CS)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.35
FFAR1 O14842 1/20 0.34
RAB9A P51151 6/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 5/20 0.33
GAA P10253 2/20 0.33
DCLRE1A Q6PJP8 1/20 0.33
DCLRE1B Q9H816 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 2/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32

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
SCHEMBL7205969 0.83 GRM5 (0.38) GRM5FFAR1RAB9APOLBNPC1
SCHEMBL7204205 0.74 NPC1 (0.47) RAB9APOLBNPC1GAAMEN1
SCHEMBL7201310 0.74 VCP (0.57) GRM5FFAR1RAB9ANPC1GAA
SCHEMBL7203118 0.73 KCNK3 (0.45) GRM5RAB9ANPC1GAAMEN1
SCHEMBL7200471 0.72 GRM5 (0.35) GRM5KMT2AHPGDALDH1A1
SCHEMBL7204957 0.70 VCP (0.53) GRM5FFAR1RAB9ANPC1GAA
SCHEMBL7202005 0.69 SMN1; SMN2 (0.50) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL7204989 0.69 CES2 (0.45) FFAR1RAB9APOLBNPC1GAA
SCHEMBL7845479 0.69 VCP (0.50) GRM5FFAR1RAB9ANPC1GAA
SCHEMBL7199134 0.67 CTNNB1 (0.50) FFAR1RAB9ANPC1GAAMEN1

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 GRM5 1963/4885FFAR1 1261/4885RAB9A 1643/4885

“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.