SCHEMBL6869992

SCHEMBL6869992

CCc1cnc(-c2ccc(C=O)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 1/20 0.47
RARB P10826 1/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
CYP11B1 P15538 1/20 0.40
ALDH3A1 P30838 1/20 0.40
ALDH1A3 P47895 1/20 0.40
KCNJ1 P48048 1/20 0.38
CYP2A6 P11509 1/20 0.38
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL10991470 0.82 RARB (0.63) ALDH1A1SMN1; SMN2MAPTHPGDRARB
SCHEMBL6851001 0.82 RAB9A (0.44) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL803074 0.81 TP53 (0.50) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL6854034 0.79 RARB (0.36) ALDH1A1SMN1; SMN2MAPTHPGDRARB
SCHEMBL8526877 0.79 TP53 (0.48) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL13140613 0.77 RARB (0.41) ALDH1A1SMN1; SMN2MAPTHPGDRARB
SCHEMBL6880131 0.77 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPTHPGDRARB
SCHEMBL6880127 0.77 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPTHPGDRARB
SCHEMBL2121124 0.77 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL6879864 0.76 RARB (0.37) ALDH1A1SMN1; SMN2MAPTHPGDRARB

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 5 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-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 ALDH1A1 2109/4885SMN1; SMN2 4073/4885MAPT 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.