SCHEMBL3135074

SCHEMBL3135074

Nc1cccc(C(=O)Nc2c(Br)cc(C(O)(c3cc(Cl)cc(Cl)c3)C(F)(F)F)cc2Br)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KCNJ11 Q14654 4/20 0.41
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ8 Q15842 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
BTK Q06187 2/20 0.37

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
SCHEMBL3133568 0.83 ABCC9 (0.52) SMN1; SMN2NPSR1ALDH1A1KCNJ11ABCC9
SCHEMBL3466694 0.80 RXFP1 (0.46) KCNJ11ABCC9ABCC8KCNJ8MEN1
SCHEMBL13875637 0.78 PTGS1 (0.50) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL404470 0.76 PTGS1 (0.51) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL1813928 0.76 PTGS1 (0.51) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL1815240 0.76 PTGS1 (0.42) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL16430397 0.76 ALDH1A1 (0.57) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL28496399 0.76 PTGS1 (0.53) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL1767262 0.76 PTGS1 (0.53) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL3137498 0.75 PTGS1 (0.52) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618173-B2 Insecticidal compounds SYNGENTA CROP PROTECTION, LLC (US) 2013-12-31 US disclosed
US-20100240712-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-09-23 US disclosed
US-20100240712-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-09-23 US disclosed
US-20100240712-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-09-23 US disclosed
EP-2203052-A2 BISAMIDE DERIVATIVES AND THEIR USE AS INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2010-07-07 EP disclosed
WO-2009049845-A2 BISAMIDE DERIVATIVES AND THEIR USE AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-04-23 WO disclosed
WO-2009049845-A2 BISAMIDE DERIVATIVES AND THEIR USE AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-04-23 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-20100240712-A1 INSECTICIDAL COMPOUNDS CHRM1, CHRM2, ACHE PTGS1 1061/4885SMN1; SMN2 611/4885NPSR1 245/4885

“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.