SCHEMBL6208525

SCHEMBL6208525

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

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 5/20 0.60
HTT P42858 4/20 0.60
LMNA P02545 3/20 0.60
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPC1 O15118 1/20 0.52
XBP1 P17861 1/20 0.52
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
HSP90AA1 P07900 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL7073582 0.89 KDM4E (0.49) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL6231890 0.79 ALDH1A1 (0.55) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL8244097 0.78 EGLN1 (0.69) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL6232527 0.77 ALDH1A1 (0.52) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL16211081 0.73 RXFP1 (0.80) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL29280468 0.71 HSP90AA1 (0.64) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL25733860 0.71 ALDH1A1 (0.61) KMT2AALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL29574988 0.71 ALDH1A1 (0.61) KMT2AALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL7135259 0.70 ALDH1A1 (0.68) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL7080435 0.70 FEN1 (0.48) MEN1KMT2AALDH1A1KDM4EHTT

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 6 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
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US disclosed
WO-2003059356-A2 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2003-07-24 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 MEN1 4821/4885KMT2A 4733/4885ALDH1A1 1494/4885

“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.