SCHEMBL6232947

SCHEMBL6232947

N#Cc1c(O)c2ccccc2n(CCC2CC2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.47
KDM4E B2RXH2 6/20 0.43
GAA P10253 2/20 0.43
NR1I2 O75469 1/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.42
HTR3A P46098 1/20 0.42
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
ALDH1A1 P00352 6/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
MAPK1 P28482 1/20 0.41
STAT3 P40763 1/20 0.41
CNR2 P34972 2/20 0.41

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
SCHEMBL4137380 0.83 CYP2C9 (0.55) GRM2NR1I2CYP2C9HIF1A
SCHEMBL9216581 0.81 KDM4E (0.64) KDM4EGAAALDH1A1LMNAHPGD
SCHEMBL23411350 0.78 KDM4E (0.64) KDM4EGAAALDH1A1LMNAHPGD
SCHEMBL29891520 0.78 KDM4E (0.64) KDM4EGAAALDH1A1LMNAHPGD
SCHEMBL6232527 0.78 ALDH1A1 (0.52) GRM2KDM4EGAAHTR3AALDH1A1
SCHEMBL13469508 0.76 TDP1 (0.48) KDM4EGAAHTR3AALDH1A1LMNA
SCHEMBL18582737 0.76 PDE9A (0.62) KDM4EHIF1AALDH1A1LMNAHPGD
SCHEMBL7162258 0.75 KDM4E (0.47) KDM4EGAAHTR3AALDH1A1LMNA
SCHEMBL568368 0.75 ALDH1A1 (0.56) KDM4EGAAALDH1A1LMNAHPGD
SCHEMBL30099730 0.75 ALDH1A1 (0.56) KDM4EGAAALDH1A1LMNAHPGD

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 GRM2 4704/4885KDM4E 4266/4885GAA 197/4885

“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.