SCHEMBL5481459

SCHEMBL5481459

CS(=O)(=O)c1nc(Cl)c(Cc2ccccc2)c(N2CCCCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
CHRM3 P20309 1/20 0.40
PIK3CA P42336 2/20 0.39
GLP1R P43220 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
RIPK1 Q13546 1/20 0.37
LMNA P02545 4/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL5479130 0.99 HTT (0.40) HTTMEN1KMT2ANPSR1PDE4A
SCHEMBL5477428 0.88 LMNA (0.48) HTTMEN1KMT2ANPSR1PDE4A
SCHEMBL5474300 0.87 TSHR (0.41) HTTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL5477311 0.80 LMNA (0.50) HTTMEN1KMT2ANPSR1PDE4A
SCHEMBL5475186 0.79 HTT (0.47) HTTMEN1KMT2ANPSR1PDE4A
SCHEMBL5475680 0.78 LMNA (0.56) HTTMEN1KMT2ANPSR1PDE4A
SCHEMBL28762091 0.77 MEN1 (0.43) HTTMEN1KMT2ANPSR1PDE4A
SCHEMBL5477103 0.77 ALDH1A1 (0.47) HTTMEN1KMT2ANPSR1PDE4A
SCHEMBL5475623 0.77 LMNA (0.57) HTTMEN1KMT2ANPSR1PDE4A
SCHEMBL5707141 0.76 HTT (0.41) HTTMEN1KMT2ANPSR1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167421-A1 Pyrimidine derivatives and use thereof as agricultural and horticultural fungicides ITO MASHITO 2007-07-19 US disclosed
EP-1718305-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS AGRICULTURAL AND HORTICULTURAL FUNGICIDES Bayer CropScience AG (DE) 2006-11-08 EP disclosed
WO-2005079798-A1 PYRIMIDINE DERIVATIVES AND USE THEREOF AS AGRICULTURAL AND HORTICULTURAL FUNGICIDES BAYER CROPSCIENCE AG (DE) 2005-09-01 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-20070167421-A1 Pyrimidine derivatives and use thereof as agricultural and horticultural fungicides DPYD, DHFR, TYMP HTT 1273/4885MEN1 2836/4885KMT2A 1275/4885

“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.