SCHEMBL6847993

SCHEMBL6847993

OCC=Cc1ccc(-n2cccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPK1 P28482 1/20 0.58
NOTUM Q6P988 1/20 0.50
CHRNA7 P36544 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
HDAC4 P56524 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
CYP3A4 P08684 1/20 0.39
RECQL P46063 1/20 0.39
NAMPT P43490 1/20 0.37
CHRM1 P11229 1/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6847991 1.00 ALDH1A1 (0.58) ALDH1A1KDM4EMAPK1NOTUMCHRNA7
SCHEMBL10653293 0.84 KDM4E (0.72) ALDH1A1KDM4EMAPK1NOTUMCHRNA7
SCHEMBL11410050 0.84 KDM4E (0.72) ALDH1A1KDM4EMAPK1NOTUMCHRNA7
SCHEMBL8828345 0.82 KDM4E (0.56) ALDH1A1KDM4EMAPK1NOTUMCHRNA7
SCHEMBL8828340 0.82 KDM4E (0.56) ALDH1A1KDM4EMAPK1NOTUMCHRNA7
SCHEMBL6870994 0.80 KDM4E (0.54) ALDH1A1KDM4EMAPK1NOTUMCHRNA7
SCHEMBL6847987 0.80 LMNA (0.51) ALDH1A1KDM4EMAPK1CHRNA7NAMPT
SCHEMBL6847990 0.80 LMNA (0.51) ALDH1A1KDM4EMAPK1CHRNA7NAMPT
SCHEMBL6871000 0.80 KDM4E (0.54) ALDH1A1KDM4EMAPK1NOTUMCHRNA7
SCHEMBL21428687 0.78 KDM4E (0.64) ALDH1A1KDM4EMAPK1NOTUMCHRNA7

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 ALDH1A1 2109/4885KDM4E 18/4885MAPK1 3244/4885

“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.