SCHEMBL11902496

SCHEMBL11902496

COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)nc(N(C)CCO)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEP1B Q16820 1/20 0.37
▸ SLC9A5 Q14940 4/20 0.35
▸ PRKAB2 O43741 1/20 0.34
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ PRKAG3 Q9UGI9 1/20 0.34
▸ PRKAG2 Q9UGJ0 1/20 0.34
▸ PRKAB1 Q9Y478 1/20 0.34
▸ ACLY P53396 1/20 0.33
▸ TAS1R3 Q7RTX0 2/20 0.33
▸ TAS1R1 Q7RTX1 2/20 0.33
▸ PDCD1LG2 Q9BQ51 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ ABL1 P00519 2/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CA12 O43570 1/20 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
SCHEMBL11902797 0.86 MEP1B (0.38) MEP1BACLYTAS1R3TAS1R1ALDH1A1
SCHEMBL117789 0.81 TAS1R3 (0.40) MEP1BACLYTAS1R3TAS1R1PTPN1
SCHEMBL2682967 0.80 TAS1R3 (0.38) MEP1BACLYTAS1R3TAS1R1PTPN1
SCHEMBL716664 0.80 TAS1R3 (0.38) MEP1BACLYTAS1R3TAS1R1PDCD1LG2
SCHEMBL1114950 0.80 TAS1R3 (0.38) MEP1BACLYTAS1R3TAS1R1PTPN1
SCHEMBL1610210 0.79 MEP1B (0.33) MEP1BTAS1R3TAS1R1ALDH1A1
SCHEMBL29769728 0.79 KDM4E (0.38) MEP1BACLYTAS1R3TAS1R1PTPN1
SCHEMBL679753 0.79 KDM4E (0.38) MEP1BACLYTAS1R3TAS1R1PTPN1
SCHEMBL1609600 0.78 CASR (0.37) MEP1BACLYALDH1A1
SCHEMBL1654715 0.78 MEP1B (0.38) MEP1BACLYTAS1R3TAS1R1PDCD1LG2

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
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US 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 MEP1B 2906/4885SLC9A5 1870/4885PRKAB2 2830/4885

“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