SCHEMBL13077936

SCHEMBL13077936

C=C1C(=O)C(=C)C(=O)C(c2nc(-c3ccc(Cl)cc3C)sc2C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ NOTUM Q6P988 2/20 0.34
▸ CASP3 P42574 1/20 0.33
▸ SHMT1 P34896 1/20 0.33
▸ SHMT2 P34897 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PDE4A P27815 2/20 0.31
▸ PDE4B Q07343 2/20 0.31
▸ PDE4C Q08493 2/20 0.31
▸ PDE4D Q08499 2/20 0.31
▸ DCK P27707 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ SCN5A Q14524 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ METAP1 P53582 1/20 0.31
▸ S100A4 P26447 2/20 0.31
▸ MEN1 O00255 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
SCHEMBL13078141 0.91 SHMT1 (0.42) LMNASHMT1SHMT2KDM4EMAPT
SCHEMBL13041468 0.79 NOTUM (0.34) GRM2LMNANOTUMCASP3SHMT1
SCHEMBL10237929 0.78 ACHE (0.39) GRM2LMNANOTUMCASP3SHMT1
SCHEMBL13041471 0.69 SHMT1 (0.42) LMNASHMT1SHMT2KDM4EMAPT
SCHEMBL10237900 0.68 SHMT1 (0.41) SHMT1SHMT2KDM4EMAPTALDH1A1
SCHEMBL13077787 0.68 — —
SCHEMBL13041383 0.68 APEX1 (0.35) GRM2LMNASHMT1SHMT2TP53
SCHEMBL13041420 0.67 GRM2 (0.36) GRM2LMNASHMT1SHMT2
SCHEMBL10237926 0.67 GRM2 (0.39) GRM2SHMT1SHMT2TP53PDE4A
SCHEMBL14960175 0.67 CASP3 (0.41) GRM2NOTUMCASP3KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279868-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — 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-20100279868-A1 NOVEL HERBICIDES DDT, HPD, HSD17B1 GRM2 156/4885LMNA 4832/4885NOTUM 216/4885

“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