SCHEMBL1654450

SCHEMBL1654450

COC(=O)c1nc(Cl)cc2[nH]cc(C)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 8/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KMO O15229 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RHEB Q15382 1/20 0.36
▸ CREBBP Q92793 1/20 0.35
▸ S1PR4 O95977 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 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
SCHEMBL1654742 0.88 NR4A2 (0.43) NR4A2NPSR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL11902801 0.78 NPSR1 (0.40) NR4A2NPSR1KMOKDM4ESMN1; SMN2
SCHEMBL11903089 0.77 ABL1 (0.42) NR4A2KMOKDM4ESMN1; SMN2ALDH1A1
SCHEMBL21419429 0.75 NR4A2 (0.55) NR4A2CREBBP
SCHEMBL1654723 0.74 NR4A2 (0.36) NR4A2KMOKDM4ERHEBS1PR4
SCHEMBL1654589 0.73 NR4A2 (0.43) NR4A2NPSR1KDM4EALDH1A1L3MBTL1
SCHEMBL25360722 0.72 NPSR1 (0.44) NPSR1KDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL30668009 0.72 NPSR1 (0.44) NPSR1KDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL18124756 0.72 NPSR1 (0.44) NPSR1KDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL26289357 0.71 NPSR1 (0.47) NPSR1KDM4ESMN1; SMN2ALDH1A1L3MBTL1

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 5 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
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
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 NR4A2 1337/4885NPSR1 1646/4885KMO 89/4885

“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