SCHEMBL11903222

SCHEMBL11903222

C=CCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)nc2[nH]cc(C)c12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ MEP1B Q16820 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.32
▸ JAK3 P52333 3/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ AGPAT2 O15120 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ TAS1R3 Q7RTX0 1/20 0.30
▸ TAS1R1 Q7RTX1 1/20 0.30

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
SCHEMBL11903334 0.90 JAK3 (0.38) SMN1; SMN2NPC1MEP1BALDH1A1JAK3
SCHEMBL1654718 0.88 TAS1R3 (0.34) KDM4EPKMMEP1BALDH1A1KMT2A
SCHEMBL11902200 0.85 MEP1B (0.34) MEP1BTAS1R3TAS1R1
SCHEMBL11903206 0.85 PKM (0.35) SMN1; SMN2KDM4ENPC1HSP90AA1RXFP1
SCHEMBL11902933 0.85 SMN1; SMN2 (0.34) SMN1; SMN2KDM4EMEP1BALDH1A1KMT2A
SCHEMBL11903387 0.85 DHODH (0.36) SMN1; SMN2KMT2AHSD17B10
SCHEMBL11902410 0.85 SMN1; SMN2 (0.34) SMN1; SMN2MEP1BALDH1A1JAK3MAPT
SCHEMBL11902785 0.84 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MAPT
SCHEMBL1654720 0.84 KMO (0.41) SMN1; SMN2KDM4EMEP1BALDH1A1KMT2A
SCHEMBL11913425 0.83 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EMEP1BALDH1A1JAK3

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 2 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

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 SMN1; SMN2 3709/4885KDM4E 3599/4885NPC1 3913/4885

“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.

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