SCHEMBL4531599

SCHEMBL4531599

FC(F)(F)c1ccc2c(c1)C[CH]C2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.44
TDP2 O95551 1/20 0.44
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 1/20 0.41
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 3/20 0.39
PTPN5 P54829 1/20 0.38
NOTUM Q6P988 1/20 0.38
KIF11 P52732 2/20 0.37
PDE2A O00408 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36

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
SCHEMBL17288959 0.84 PNMT (0.40) PNMTTDP2PARP1PARP10HTR2A
SCHEMBL17289144 0.84 PNMT (0.40) PNMTTDP2PARP1PARP10HTR2A
SCHEMBL1855767 0.77 ALDH1A1 (0.41) KIF11
SCHEMBL33527314 0.74 TDP2 (0.59) PNMTTDP2PARP1PARP10HTR2A
Ammonia Solution, Strong SCHEMBL28002037 0.74 TDP2 (0.50) PNMTTDP2PARP1PARP10HTR2A
Water SCHEMBL27598694 0.74 TDP2 (0.50) PNMTTDP2PARP1PARP10HTR2A
SCHEMBL31757570 0.73 KCNH2 (0.46) PNMTTDP2PARP1PARP10HTR2A
SCHEMBL16867892 0.73 KCNH2 (0.46) PNMTTDP2PARP1PARP10HTR2A
SCHEMBL2387705 0.73 PNMT (0.44) PNMTTDP2PARP1PARP10HTR2A
SCHEMBL27974149 0.73 TDP2 (0.49) PNMTTDP2PARP1PARP10HTR2C

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
CN-104955332-B The method of preventing and treating arthropod insect 住友化学株式会社 2017-03-29 CN disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
CN-104955332-A Method for controlling arthropod pest SUMITOMO CHEMICAL CO 2015-09-30 CN disclosed
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 US disclosed
EP-1881988-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-01-30 EP disclosed
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 PNMT 453/4885TDP2 4588/4885PARP1 4545/4885
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 PNMT 1606/4885TDP2 4340/4885PARP1 3106/4885

“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.