SCHEMBL5866945

SCHEMBL5866945

O=C(O)c1cc2cccc(N3CCCC3)c2o1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
KCNQ2 O43526 1/20 0.43
PKM P14618 1/20 0.43
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5867030 0.98 KDM4E (0.48) ALDH1A1KDM4EMAPTNPC1SMN1; SMN2
SCHEMBL2010000 0.75 MAOA (0.62) ALDH1A1KDM4EMAPTNPC1SMN1; SMN2
SCHEMBL13020187 0.75
SCHEMBL27859650 0.74 ALDH1A1 (0.50) ALDH1A1KDM4ENPSR1KMT2AGAA
SCHEMBL931002 0.74 POLB (0.51) ALDH1A1KDM4EMAPTNPC1HTT
SCHEMBL931486 0.74
SCHEMBL17724009 0.74 MAOA (0.51) ALDH1A1KDM4EMAPTNPC1SMN1; SMN2
SCHEMBL25300447 0.73 LMNA (0.45) ALDH1A1KDM4EMAPTNPC1SMN1; SMN2
SCHEMBL29503553 0.73 LMNA (0.45) ALDH1A1KDM4EMAPTNPC1SMN1; SMN2
SCHEMBL931464 0.73 GRIN2B (0.67) ALDH1A1SMN1; SMN2NPSR1KMT2AGAA

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 ALDH1A1 3919/4885KDM4E 4648/4885MAPT 3987/4885
US-20060270651-A1 ANTIBACTERIAL AGENTS MRPL21, HDHD5, CLPP ALDH1A1 2950/4885KDM4E 4511/4885MAPT 4113/4885
US-20020045749-A1 Antibacterial agents MRPL21, HDHD5, CLPP ALDH1A1 2950/4885KDM4E 4511/4885MAPT 4113/4885

“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.