SCHEMBL6852697

SCHEMBL6852697

O=CC=Cc1csc(-c2cnccn2)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 1/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
TRPA1 O75762 1/20 0.30
LMNA P02545 1/20 0.30
ALOX5 P09917 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL6852683 1.00 PIM2 (0.35) PIM2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL6847824 0.84 MAPT (0.38) PIM2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL6848061 0.82 PIM2 (0.33) PIM2HDAC1HDAC8HDAC6CYP1A2
SCHEMBL6877273 0.79 KDM4E (0.43) HDAC1HDAC8HDAC6ALDH1A1KDM4E
SCHEMBL6877267 0.79 KDM4E (0.43) HDAC1HDAC8HDAC6ALDH1A1KDM4E
SCHEMBL6852127 0.78 PIM2 (0.34) PIM2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL6852115 0.78 PIM2 (0.34) PIM2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL6876939 0.75 ALDH1A1 (0.37) ALDH1A1KDM4ETRPA1LMNAALOX5
SCHEMBL6876943 0.75 ALDH1A1 (0.37) ALDH1A1KDM4ETRPA1LMNAALOX5
SCHEMBL6847943 0.75 PIM2 (0.38) PIM2HDAC1HDAC8HDAC6ALDH1A1

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 PIM2 2492/4885HDAC1 118/4885HDAC8 387/4885

“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.