SCHEMBL6326332

SCHEMBL6326332

O=C1C=C(OC(=O)c2ccc(F)cc2Cn2nnn(C3CCCCC3)c2=O)CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.33
ALDH1A1 P00352 4/20 0.33
P2RX7 Q99572 1/20 0.32
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
EGFR P00533 1/20 0.32
BTK Q06187 1/20 0.32
ROCK2 O75116 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ACKR3 P25106 1/20 0.31

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
SCHEMBL6328386 0.85 ALDH1A1 (0.33) TSHRALDH1A1P2RX7GAA
SCHEMBL6331565 0.77 BUB1 (0.31)
SCHEMBL5184686 0.76 ALDH1A1 (0.45) RAB9AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6325937 0.75
SCHEMBL6326063 0.73
SCHEMBL6326584 0.72 PDE3B (0.34) TSHRALDH1A1TDP1
SCHEMBL6332976 0.72 DPP4 (0.34) TP53
SCHEMBL6326294 0.72 DPP4 (0.34) CYP1A2TDP1
SCHEMBL6323495 0.70 HTT (0.36) ALDH1A1
SCHEMBL6334596 0.68 HDAC6 (0.35) RAB9A

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 6 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-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
EP-1208090-A1 HERBICIDALTETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2002-05-29 EP disclosed
WO-2001010850-A1 HERBICIDAL TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 2001-02-15 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 (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 RAB9A 3048/4885TSHR 1322/4885ALDH1A1 225/4885
US-20040242895-A1 Novel tetrazolinone derivatives CBR3, CBR1, CYP1B1 RAB9A 3011/4885TSHR 1295/4885ALDH1A1 226/4885

“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.