SCHEMBL678914

SCHEMBL678914

COC(=O)c1c(Cl)ccc(C)c1NC(=O)c1ccc(C)nc1C(=O)NCC1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.38
ACACB O00763 2/20 0.38
ACACA Q13085 2/20 0.38
PAK1 Q13153 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CNR2 P34972 3/20 0.36
HTR3A P46098 1/20 0.35
HTR4 Q13639 1/20 0.35
CNR1 P21554 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CRHR1 P34998 1/20 0.35
MAPK14 Q16539 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL7675273 0.94 P2RX7 (0.39) P2RX7ACACBACACAPAK1PDE4A
SCHEMBL7679461 0.92 CNR1 (0.39) ACACBACACACNR2CNR1MAPK14
SCHEMBL7677391 0.91 CNR1 (0.38) P2RX7ACACBACACAPAK1PDE4A
SCHEMBL7675254 0.89 POLB (0.39) ACACBACACACNR2CNR1MAPK14
SCHEMBL7676296 0.87 PTGER4 (0.40) P2RX7ACACBACACAPAK1PDE4A
SCHEMBL7677655 0.86 CNR2 (0.40) P2RX7ACACBACACAPAK1PDE4A
SCHEMBL7683047 0.85 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMAPK14
SCHEMBL7684280 0.85 CNR1 (0.43) P2RX7PAK1CNR2CNR1CHRM1
SCHEMBL7685456 0.85 TSHR (0.39) P2RX7PDE4APDE4BPDE4CPDE4D
SCHEMBL12808578 0.84 PAK1 (0.36) P2RX7ACACBACACAPAK1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6472349-B1 Pyridine-2,3-dicarboxylic acid diamides BASF AKTIENGESELLSCHAFT (DE) 2002-10-29 US claimed
US-11206830-B2 Herbicidal composition comprising glufosinate or a salt thereof and pyroxasulfone BASF SE (DE) 2021-12-28 US disclosed
US-9999223-B2 Herbicidal composition comprising glyphosate, glufosinate or their salts BASF SE (DE) 2018-06-19 US disclosed
US-9999223-B2 Herbicidal composition comprising glyphosate, glufosinate or their salts BASF SE (DE) 2018-06-19 US disclosed
US-20170325455-A1 Herbicidal Composition Comprising Glyphosate, Glufosinate or Their Salts BASF SE (DE) 2017-11-16 US disclosed
US-20170325455-A1 Herbicidal Composition Comprising Glyphosate, Glufosinate or Their Salts BASF SE (DE) 2017-11-16 US disclosed
US-9629366-B2 Herbicidal composition comprising glyphosate, glufosinate or their salts BASF SE (DE) 2017-04-25 US disclosed
US-9629366-B2 Herbicidal composition comprising glyphosate, glufosinate or their salts BASF SE (DE) 2017-04-25 US disclosed
US-20170042159-A1 Herbicidal Composition Comprising Glyphosate, Glufosinate or Their Salts BASF SE (DE) 2017-02-16 US disclosed
US-20170042159-A1 Herbicidal Composition Comprising Glyphosate, Glufosinate or Their Salts BASF SE (DE) 2017-02-16 US disclosed
US-20110065579-A1 Herbicidal Composition Comprising Glyphosate, Glufosinate or Their Salts BASF SE 2011-03-17 US disclosed
US-20110065579-A1 Herbicidal Composition Comprising Glyphosate, Glufosinate or Their Salts BASF SE 2011-03-17 US disclosed
US-20110015068-A1 Herbicidal Compositions Comprising Pyroxasulfone V BASF SE (DE) 2011-01-20 US 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 (5 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-20110065579-A1 Herbicidal Composition Comprising Glyphosate, Glufosinate or Their Salts FPGS, PPOX, PAOX P2RX7 3633/4885ACACB 110/4885ACACA 171/4885
US-20170325455-A1 Herbicidal Composition Comprising Glyphosate, Glufosinate or Their Salts FPGS, PPOX, PAOX P2RX7 3633/4885ACACB 110/4885ACACA 171/4885
US-20110015068-A1 Herbicidal Compositions Comprising Pyroxasulfone V PPOX, CYP4X1, PRDX5 P2RX7 147/4885ACACB 2227/4885ACACA 2329/4885
US-11206830-B2 Herbicidal composition comprising glufosinate or a salt thereof and pyroxasulfone FPGS, PAOX, PFAS P2RX7 3835/4885ACACB 133/4885ACACA 186/4885
US-20170042159-A1 Herbicidal Composition Comprising Glyphosate, Glufosinate or Their Salts PPOX, FPGS, PAOX P2RX7 3131/4885ACACB 148/4885ACACA 217/4885

“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.