SCHEMBL6732678

SCHEMBL6732678

CCOC(=O)C=Cc1cc(-n2nc3ccc(Cl)cn3c2=O)c(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PKM P14618 2/20 0.36
BLM P54132 1/20 0.36
CYP3A4 P08684 1/20 0.35
DHODH Q02127 4/20 0.35
XPO1 O14980 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
GPR139 Q6DWJ6 2/20 0.34

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
SCHEMBL6732677 1.00 P2RX3 (0.40) P2RX3CYP1A2CYP2C9CYP2C19PKM
SCHEMBL7016085 0.86 PKM (0.35) P2RX3PKMDHODHMAPTGPR139
SCHEMBL6728750 0.79 TDP1 (0.35) DHODHGPR139
SCHEMBL8649072 0.79 PPOX (0.42)
SCHEMBL8649070 0.79 PPOX (0.42)
SCHEMBL7014437 0.78 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19DHODHALDH1A1
SCHEMBL6727419 0.75 GPR139 (0.36) CYP1A2CYP2C9CYP2C19DHODHALDH1A1
SCHEMBL9796720 0.75 PKM (0.38) P2RX3PKMCYP3A4XPO1IDO1
SCHEMBL9797096 0.75 PKM (0.38) P2RX3PKMCYP3A4XPO1IDO1
SCHEMBL6724655 0.75 SLC5A2 (0.36) DHODHALDH1A1GPR139

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-20040063580-A1 Bicyclic triazolone derivatives and a herbicides containing the same SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2004-04-01 US disclosed
EP-1333031-A1 BICYCLIC TRIAZOLONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME Sumitomo Chemical Takeda Agro Company, Limited (JP) 2003-08-06 EP 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-20040063580-A1 Bicyclic triazolone derivatives and a herbicides containing the same WEE1, WEE2, BAK1 P2RX3 828/4885CYP1A2 231/4885CYP2C9 702/4885

“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.