SCHEMBL6852650

SCHEMBL6852650

OC/C=C/c1ccc(-c2ccccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
METAP1 P53582 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
DOHH Q9BU89 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL6852658 1.00 HDAC3 (0.46) HDAC3HDAC1HDAC2CYP1A2CYP2D6
SCHEMBL8828375 0.83 PAM (0.60) HDAC3HDAC1HDAC2CYP1A2CYP2D6
SCHEMBL8828368 0.83 PAM (0.60) HDAC3HDAC1HDAC2CYP1A2CYP2D6
SCHEMBL6228723 0.82 ADRB2 (0.44) HDAC3HDAC1HDAC2L3MBTL1NPC1
SCHEMBL6228721 0.82 ADRB2 (0.44) HDAC3HDAC1HDAC2L3MBTL1NPC1
SCHEMBL13017261 0.82 KDM4E (0.50) HDAC3HDAC1HDAC2CYP1A2CYP2D6
SCHEMBL6880877 0.81 IDO1 (0.57) HDAC3HDAC1HDAC2CYP1A2CYP2D6
SCHEMBL6880871 0.81 IDO1 (0.57) HDAC3HDAC1HDAC2CYP1A2CYP2D6
SCHEMBL18572781 0.80 KDM1A (0.49) HDAC3HDAC1HDAC2CYP1A2CYP2D6
SCHEMBL6877288 0.80 CYP2D6 (0.45) HDAC3HDAC1HDAC2CYP2D6CYP2C9

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 HDAC3 105/4885HDAC1 118/4885HDAC2 772/4885

“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.