SCHEMBL6854119

SCHEMBL6854119

Cn1c(/C=C/C=O)nc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.64
ALDH1A1 P00352 8/20 0.64
MAPT P10636 8/20 0.64
RAB9A P51151 7/20 0.64
NPC1 O15118 6/20 0.64
KMT2A Q03164 3/20 0.64
PKM P14618 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
SMN1; SMN2 Q16637 5/20 0.55
LMNA P02545 3/20 0.55
CDK5 Q00535 1/20 0.55
PAX8 Q06710 1/20 0.55
CDK5R1 Q15078 1/20 0.55
RCE1 Q9Y256 1/20 0.55
PDE10A Q9Y233 1/20 0.53
MEN1 O00255 2/20 0.52
RXFP1 Q9HBX9 2/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 5/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL6854120 1.00 KDM4E (0.64) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL17033984 0.83 KDM4E (0.64) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL102893 0.82 KDM4E (0.64) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL17254599 0.81 KDM4E (0.70) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL6852240 0.79 KDM4E (0.68) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL8551153 0.78 NPC1 (1.00) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL29276895 0.78 KDM4E (0.65) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL31122891 0.78 KDM4E (0.65) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL14381963 0.77 KDM4E (0.64) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL9335463 0.76 KDM4E (0.71) KDM4EALDH1A1MAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 US disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 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 (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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 KDM4E 18/4885ALDH1A1 2109/4885MAPT 4142/4885

“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.