SCHEMBL21703559

SCHEMBL21703559

C[Si](C)(C)C#Cc1ccc(Oc2ccc(C(=O)Cn3cncn3)c(C(F)(F)F)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL21703561 0.89 LMNA (0.33) PDE4DLMNASMN1; SMN2PKMMEN1
SCHEMBL21678316 0.87 LMNA (0.34) PDE4DLMNASMN1; SMN2PKMMEN1
SCHEMBL19994255 0.85 SCN9A (0.38) PDE4DLMNASMN1; SMN2PKMCYP1A2
SCHEMBL19994252 0.84 LMNA (0.35) PDE4DLMNASMN1; SMN2PKMMEN1
SCHEMBL18529636 0.84 LMNA (0.44) PDE4DLMNASMN1; SMN2PKMTSHR
SCHEMBL21678311 0.83 LMNA (0.36) PDE4DLMNASMN1; SMN2PKMMEN1
SCHEMBL21678324 0.83 ALDH1A1 (0.36) PDE4DLMNASMN1; SMN2PKMCYP1A2
SCHEMBL21678314 0.80 PDE4D (0.37) PDE4DLMNASMN1; SMN2PKMCYP3A4
SCHEMBL19994248 0.71 LMNA (0.48) PDE4DLMNASMN1; SMN2PKMTSHR
SCHEMBL30172138 0.66 LMNA (0.47) PDE4DLMNASMN1; SMN2PKMTSHR

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-20200045967-A1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 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-20200045967-A1 NOVEL TRIAZOLE DERIVATIVES CYP51A1, ERG28, SBK3 PDE4D 1793/4885LMNA 4224/4885SMN1; SMN2 4881/4885

“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.