SCHEMBL1653854

SCHEMBL1653854

COC(=O)c1nc(-c2ccc(Cl)c(F)c2)nc2c1cc(C)n2CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 1/20 0.37
▸ PDE4D Q08499 3/20 0.37
▸ GRIN2B Q13224 1/20 0.36
▸ CTSA P10619 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PPARD Q03181 2/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ PDE4B Q07343 3/20 0.35
▸ PDE4A P27815 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ PKM P14618 1/20 0.34
▸ RCE1 Q9Y256 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KMO O15229 1/20 0.34
▸ ERCC5 P28715 1/20 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
SCHEMBL11913403 0.86 GABRA2 (0.38) GCGRPDE4DGRIN2BCYP1A2KDM4E
SCHEMBL11903008 0.83 TSHR (0.43) KDM4EHPGDPKMALDH1A1SMN1; SMN2
SCHEMBL11903055 0.81 HTT (0.42) KDM4EPPARDPPARAALDH1A1SMN1; SMN2
SCHEMBL11902957 0.78 NOTUM (0.40) CYP1A2PPARDPPARAALDH1A1SMN1; SMN2
SCHEMBL11902760 0.77 NOTUM (0.39) PDE4DGRIN2BPDE4BPDE4APDE4C
SCHEMBL11903226 0.76 HDAC1 (0.39) GCGRPDE4DCYP1A2KDM4EPDE4B
SCHEMBL11902934 0.74 TRPV1 (0.39) PDE4DCYP1A2KDM4EPDE4BPDE4A
SCHEMBL11902325 0.74 ALDH1A1 (0.40) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11902630 0.74 GRM2 (0.37) GCGRPDE4DGRIN2BCYP1A2PDE4B
SCHEMBL1654751 0.74 MAPK8 (0.41) PDE4DCYP1A2KDM4EHPGDPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488518-A2 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2012-08-22 — — EP disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
CN-102574849-A Herbicidal compounds SYNGENTA LTD 2012-07-11 — — CN disclosed
WO-2011045561-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2011-04-21 — — 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 (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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO GCGR 2802/4885PDE4D 3019/4885GRIN2B 682/4885

“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.

Send feedback