SCHEMBL6729658

SCHEMBL6729658

N#Cc1cc(F)c(-n2nc3ccc(Cl)cn3c2=O)cc1N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
HTR1A P08908 2/20 0.34
THRB P10828 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
AR P10275 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL6724485 0.87 GPR139 (0.34) ALDH1A1AR
SCHEMBL7014884 0.84 GPR139 (0.34) ALDH1A1LMNAHTT
SCHEMBL6730520 0.81 S1PR3 (0.36)
SCHEMBL6729888 0.80 ACLY (0.32) ALDH1A1
SCHEMBL6728852 0.79 GPR139 (0.35) ALDH1A1
SCHEMBL6724492 0.78 GPR139 (0.35)
SCHEMBL6735913 0.77 BCAT2 (0.33)
SCHEMBL6724560 0.77 PPOX (0.35) ALDH1A1
SCHEMBL6729050 0.77 PGR (0.37) AR
SCHEMBL6724664 0.76 RXFP1 (0.35) ALDH1A1MAPTPOLBMAPK1L3MBTL1

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 ALDH1A1 318/4885LMNA 3420/4885HTR1A 1553/4885

“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.