SCHEMBL6328386

SCHEMBL6328386

O=C1C=C(OC(=O)c2ccc(Cl)cc2Cn2nnn(C3CC3)c2=O)CCC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DPP4 P27487 1/20 0.33
GAA P10253 1/20 0.33
P2RX7 Q99572 3/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
ENPP2 Q13822 1/20 0.30
PTGER1 P34995 1/20 0.30

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
SCHEMBL6332976 0.85 DPP4 (0.34) DPP4PTGER1
SCHEMBL6326584 0.85 PDE3B (0.34) ALDH1A1DPP4TSHRMAPK1
SCHEMBL6326332 0.85 RAB9A (0.35) ALDH1A1GAAP2RX7TSHR
SCHEMBL6331565 0.84 BUB1 (0.31)
SCHEMBL6326063 0.80
SCHEMBL5184290 0.79 ALDH1A1 (0.49) ALDH1A1CASP1HSD17B10GAATSHR
SCHEMBL6325937 0.78
SCHEMBL6326294 0.74 DPP4 (0.34) DPP4PTGER1
SCHEMBL6326322 0.72 CFTR (0.34) ALDH1A1HSD17B10GAAENPP2PTGER1
SCHEMBL6332964 0.71 P2RX3 (0.35) GAA

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-6936570-B2 Tetrazolinone derivatives NIHON BAYER AGROCHEM, K.K. (JP) 2005-08-30 US disclosed
US-20040242895-A1 Novel tetrazolinone derivatives YANAGI AKIHIKO (JP) 2004-12-02 US disclosed
US-6790810-B2 Tetrazolinone derivatives NIHON BAYER AGROCHEM K.K. (JP) 2004-09-14 US disclosed
US-20040102635-A1 Novel tetrazolinone derivatives YANAGI AKIHIKO (JP) 2004-05-27 US disclosed
US-6624121-B1 Exemplified by 2-cyano-3-cyclopropyl-1-(3-((4-cyclopropyl-4,5-dihydro-5-oxo-1H-tetrazol-1 -yl)methyl)-2, 4-dichlorophenyl)propan-1,3-dione NIHON BAYER AGROCHEM K.K. (JP) 2003-09-23 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 (2 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-20040102635-A1 Novel tetrazolinone derivatives CBR1, CBR3, CYP1B1 ALDH1A1 225/4885CASP1 461/4885HSD17B10 303/4885
US-20040242895-A1 Novel tetrazolinone derivatives CBR3, CBR1, CYP1B1 ALDH1A1 226/4885CASP1 477/4885HSD17B10 309/4885

“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.