SCHEMBL29779276

SCHEMBL29779276

COC(=O)Nc1cc(Oc2ccccc2C)c(C#N)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
BCAT1 P54687 2/20 0.44
BCAT2 O15382 1/20 0.44
AR P10275 4/20 0.43
TBXA2R P21731 3/20 0.40
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HSD17B10 Q99714 1/20 0.36
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC6A2 P23975 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
SCHEMBL24825932 1.00 MEN1 (0.45) MEN1HTTKMT2ABCAT1BCAT2
SCHEMBL29779327 0.82 MEN1 (0.47) MEN1HTTKMT2ABCAT1BCAT2
SCHEMBL24826943 0.82 MEN1 (0.47) MEN1HTTKMT2ABCAT1BCAT2
SCHEMBL24824846 0.79 BCAT1 (0.48) BCAT1BCAT2ARALDH1A1
SCHEMBL24823987 0.79 AR (0.46) BCAT1BCAT2ARALDH1A1
SCHEMBL24825590 0.79 BCAT1 (0.46) BCAT1BCAT2AR
SCHEMBL24823990 0.79 AR (0.52) MEN1KMT2ABCAT1BCAT2AR
SCHEMBL24824852 0.74 BCAT1 (0.49) BCAT1BCAT2ARTBXA2RHPGD
SCHEMBL29779335 0.74 BCAT1 (0.49) BCAT1BCAT2ARTBXA2RHPGD
SCHEMBL24825907 0.73 AR (0.48) MEN1KMT2ABCAT1BCAT2AR

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-20220411381-A1 PYRIMIDINEDIONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 US disclosed
EP-4038054-A1 PYRIMIDINEDIONE DERIVATIVES Bayer Aktiengesellschaft (DE) 2022-08-10 EP 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-20220411381-A1 PYRIMIDINEDIONE DERIVATIVES DPYD, TYMP, TYMS MEN1 1160/4885HTT 3306/4885KMT2A 3632/4885

“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.