SCHEMBL6232527

SCHEMBL6232527

CC(C)CCn1c(=O)c(C#N)c(O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 5/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 3/20 0.51
HPGD P15428 3/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.47
GRM2 Q14416 3/20 0.46
XBP1 P17861 1/20 0.46
HTR3A P46098 1/20 0.46
MAPK1 P28482 1/20 0.45
STAT3 P40763 1/20 0.45
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RCE1 Q9Y256 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL7162258 0.89 KDM4E (0.47) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL9216581 0.85 KDM4E (0.64) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL23411350 0.82 KDM4E (0.64) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL29891520 0.82 KDM4E (0.64) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL6231890 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL13469508 0.80 TDP1 (0.48) ALDH1A1KDM4ELMNAHPGDHTT
SCHEMBL568368 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL30099730 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL6232947 0.78 GRM2 (0.47) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL6208525 0.77 MEN1 (0.60) ALDH1A1KDM4EMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP claimed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US claimed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP claimed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 WO claimed
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP disclosed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US disclosed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP disclosed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 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-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 ALDH1A1 1494/4885KDM4E 4266/4885MEN1 4821/4885

“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.