SCHEMBL6847783

SCHEMBL6847783

O=CC=Cc1ccc(-c2ncno2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
TRPA1 O75762 1/20 0.41
LMNA P02545 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPK1 P28482 1/20 0.41
XDH P47989 2/20 0.36
BRD4 O60885 1/20 0.35
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCNB1 P14635 1/20 0.32
CCND1 P24385 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL6847776 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL6850822 0.82 BRD4 (0.42) ALDH1A1KDM4EMAPTLMNABRD4
SCHEMBL6854147 0.79 KDM4E (0.33) KDM4EMAPTBRD4CYP1A2CYP3A4
SCHEMBL6852553 0.75 CYP3A4 (0.39) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL6852558 0.75 CYP3A4 (0.39) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL28653887 0.71 ALDH1A1 (0.39) ALDH1A1LMNA
SCHEMBL1310214 0.71 ALDH1A1 (0.75) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL1310216 0.71 ALDH1A1 (0.75) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL6876881 0.70 NOTUM (0.51) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL6876871 0.70 NOTUM (0.51) ALDH1A1KDM4EMAPTTRPA1LMNA

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 18/4885MAPT 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.