SCHEMBL5867030

SCHEMBL5867030

O=C(O)c1cc2cccc(N3CCCCC3)c2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 2/20 0.43
CSF1R P07333 1/20 0.43
GAA P10253 4/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
KCNQ2 O43526 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL5866945 0.98 ALDH1A1 (0.49) KDM4EALDH1A1NPC1MAPTTP53
SCHEMBL2010000 0.74 MAOA (0.62) KDM4EALDH1A1NPC1MAPTHTT
SCHEMBL13020187 0.73
SCHEMBL11707109 0.73 GPR35 (0.45) KDM4EALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL27859650 0.73 ALDH1A1 (0.50) KDM4EALDH1A1NPSR1HPGDGAA
SCHEMBL5558555 0.73 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL931002 0.73 POLB (0.51) KDM4EALDH1A1NPC1MAPTHTT
SCHEMBL931486 0.73
SCHEMBL17724009 0.73 MAOA (0.51) KDM4EALDH1A1NPC1MAPTHTT
SCHEMBL25300447 0.72 LMNA (0.45) KDM4EALDH1A1NPC1MAPTTP53

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
US-7148259-B1 Antibacterial agents AMGEN INC. (US) 2006-12-12 US disclosed
US-20060270651-A1 ANTIBACTERIAL AGENTS AMGEN INC. (US) 2006-11-30 US disclosed
US-7053234-B2 Antibacterial agents AMGEN INC. (US) 2006-05-30 US disclosed
US-20040235911-A1 hydroxyamidines; antibiotic resistance TULARIK INC. 2004-11-25 US disclosed
US-6780858-B2 Antibacterial agents TULARIK INC. 2004-08-24 US disclosed
EP-1246795-A2 ANTIBACTERIAL AGENTS Tularik Inc. (US) 2002-10-09 EP disclosed
US-20020045749-A1 Antibacterial agents AMGEN INC. 2002-04-18 US disclosed
WO-2001051456-A2 ANTIBACTERIAL AGENTS TULARIK INC. (US) 2001-07-19 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 (3 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-20040235911-A1 hydroxyamidines; antibiotic resistance HNMT, HDHD5, ABCC1 KDM4E 4648/4885ALDH1A1 3919/4885NPC1 2881/4885
US-20060270651-A1 ANTIBACTERIAL AGENTS MRPL21, HDHD5, CLPP KDM4E 4511/4885ALDH1A1 2950/4885NPC1 2994/4885
US-20020045749-A1 Antibacterial agents MRPL21, HDHD5, CLPP KDM4E 4511/4885ALDH1A1 2950/4885NPC1 2994/4885

“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.