SCHEMBL6852452

SCHEMBL6852452

[CH2]/C=C/c1ccc(-n2cccn2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A1 P04798 4/20 0.38
CYP1A2 P05177 4/20 0.38
CYP1B1 Q16678 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
G6PD P11413 1/20 0.37
NFE2L2 Q16236 1/20 0.37
MAPK1 P28482 1/20 0.37
USP9X Q93008 1/20 0.37
APP P05067 3/20 0.36
ALDH1A3 P47895 1/20 0.36
PTPN1 P18031 2/20 0.36
NQO2 P16083 2/20 0.35

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
SCHEMBL6881836 0.84 XDH (0.51) ALDH1A1MAPTHPGDSMN1; SMN2CYP1A1
SCHEMBL6881828 0.84 XDH (0.51) ALDH1A1MAPTHPGDSMN1; SMN2CYP1A1
SCHEMBL6852249 0.83 ALDH1A1 (0.54) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6850814 0.83 IRAK4 (0.46) ALDH1A1MAPTHPGDSMN1; SMN2CYP1A1
SCHEMBL6850818 0.83 IRAK4 (0.46) ALDH1A1MAPTHPGDSMN1; SMN2CYP1A1
SCHEMBL6854067 0.79 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7033551 0.79 MEN1 (0.42) ALDH1A1MAPTCYP1A2MEN1KMT2A
SCHEMBL4819467 0.77 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7033553 0.77 HCRTR1 (0.45) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6881690 0.76 USP9X (0.38) ALDH1A1MAPTSMN1; SMN2CYP1A2MEN1

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
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
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
US-6472372-B1 6-O-Carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICALS, INC. 2002-10-29 US 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-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 ALDH1A1 3560/4885MAPT 3982/4885HPGD 2320/4885

“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.