SCHEMBL6736175

SCHEMBL6736175

N#Cc1cc(F)c(-n2nc3ccc(Br)cn3c2=O)cc1F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.36
PDE10A Q9Y233 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PRNP P04156 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31
GPR139 Q6DWJ6 2/20 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
SCHEMBL6724634 0.87 GPR139 (0.40) CYP11B1CYP11B2TRPV4GPR139
SCHEMBL6724485 0.86 GPR139 (0.34) CYP11B1CYP11B2TRPV4GPR139
SCHEMBL6730393 0.86 MEN1 (0.35) RXFP1CYP11B1CYP11B2TRPV4GPR139
SCHEMBL6735483 0.84 CYP11B1 (0.34) CYP11B1CYP11B2TRPV4GPR139
SCHEMBL6727295 0.81 DHODH (0.43)
SCHEMBL6730381 0.76 GPR139 (0.36) CYP11B1CYP11B2GPR139
SCHEMBL7014884 0.76 GPR139 (0.34) GPR139
SCHEMBL6729850 0.75 KCNQ3 (0.32) CYP11B1CYP11B2TRPV4
SCHEMBL6729658 0.73 ALDH1A1 (0.38)
SCHEMBL6730520 0.73 S1PR3 (0.36)

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 RXFP1 1251/4885PDE10A 3110/4885CYP11B1 249/4885

“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.