SCHEMBL6851972

SCHEMBL6851972

[CH2]/C=C/c1ccc2ccccc2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.63
NPC1 O15118 9/20 0.63
KDM4E B2RXH2 8/20 0.63
LMNA P02545 6/20 0.63
PKM P14618 2/20 0.63
MAPT P10636 8/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
HTT P42858 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
ECE2 P0DPD6 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
TP53 P04637 1/20 0.56
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL6852547 1.00 RAB9A (0.63) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL28443608 0.87 RAB9A (0.80) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL5099524 0.81 RAB9A (0.66) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL5099515 0.81 RAB9A (0.66) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL5412134 0.81 RAB9A (0.66) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL9170780 0.79 RAB9A (0.89) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL9030974 0.79 RAB9A (0.63) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL9170782 0.79 RAB9A (0.89) RAB9ANPC1KDM4ELMNAPKM
SCHEMBL9000411 0.79 RAB9A (0.69) RAB9ANPC1KDM4ELMNAPKM
Chimanine B SCHEMBL954132 0.79 KDM4E (0.63) RAB9ANPC1KDM4ELMNAPKM

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
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
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-6667338-B2 For therapy of bacterial infections ABBOTT LABORATORIES 2003-12-23 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
US-20020142973-A1 9-Amino erythromycin derivatives with antibacterial activity ABBVIE INC. 2002-10-03 US disclosed
US-20020132782-A1 9-amino erythromycin derivatives with antibacterial activity ABBOTT LABORATORIES 2002-09-19 US disclosed
WO-2002057286-A2 9-AMINO ERYTHROMYCIN DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 2002-07-25 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 (2 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-20020142973-A1 9-Amino erythromycin derivatives with antibacterial activity MRPL9, MRPL19, MRPL21 RAB9A 26/4885NPC1 777/4885KDM4E 1397/4885
US-20020132782-A1 9-amino erythromycin derivatives with antibacterial activity MRPL9, MRPL19, MRPL21 RAB9A 26/4885NPC1 777/4885KDM4E 1397/4885

“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.