SCHEMBL4858719

SCHEMBL4858719

CCCCc1ccc(-n2c(-c3ccc(SC)cc3)nc(SC)c(C#N)c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL3 P15374 2/20 0.39
KDM4E B2RXH2 4/20 0.37
RXFP1 Q9HBX9 2/20 0.36
HSD11B1 P28845 2/20 0.36
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
GRM2 Q14416 2/20 0.34
NPSR1 Q6W5P4 3/20 0.34
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
LMNA P02545 1/20 0.33
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL4855786 0.90 KDM4E (0.40) KDM4ERXFP1ALDH1A1KMT2AMEN1
SCHEMBL4855936 0.85 ALDH1A1 (0.48) KDM4ERXFP1ALDH1A1KMT2AMEN1
SCHEMBL4854626 0.83 KDM4E (0.47) KDM4ERXFP1ALDH1A1KMT2AMEN1
SCHEMBL4855957 0.83 KDM4E (0.47) KDM4ERXFP1ALDH1A1KMT2AMEN1
SCHEMBL4857021 0.83 KDM4E (0.48) KDM4ERXFP1ALDH1A1KMT2AMEN1
SCHEMBL4861613 0.83 KDM4E (0.48) KDM4ERXFP1ALDH1A1KMT2AMEN1
SCHEMBL4858580 0.83 RXFP1 (0.50) KDM4ERXFP1ALDH1A1KMT2AMEN1
SCHEMBL4853398 0.83 KDM4E (0.43) KDM4ERXFP1ALDH1A1KMT2AMEN1
SCHEMBL4854567 0.83 KDM4E (0.48) KDM4ERXFP1ALDH1A1KMT2AMEN1
SCHEMBL4863190 0.83 ALDH1A1 (0.43) KDM4EALDH1A1KMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US claimed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 US claimed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 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-20040259891-A1 Novel pyrimidon derivatives TYMS, TPMT, TYMP UCHL3 4828/4885KDM4E 4161/4885RXFP1 2961/4885

“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.