Sugi Predict

Sugi Predict / Compounds / SCHEMBL6847769

SCHEMBL6847769

SCHEMBL6847769

O=Cc1ccc(-c2ccon2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 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
▸ BRD4 O60885 1/20 0.43
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CYP2A6 P11509 3/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALDH5A1 P51649 1/20 0.37
▸ ABAT P80404 1/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ DRD1 P21728 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34

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
SCHEMBL4059081 0.82 CYP1A2 (0.57) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6880753 0.82 ALDH1A1 (0.44) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6880746 0.82 ALDH1A1 (0.44) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL9358912 0.78 BRD4 (0.49) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6852812 0.77 CYP1A2 (0.42) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL11836108 0.75 HCAR2 (0.49) CYP2C9NPC1RAB9AHSD17B10ALDH1A1
SCHEMBL11836116 0.75 HCAR2 (0.49) CYP2C9NPC1RAB9AHSD17B10ALDH1A1
SCHEMBL6847787 0.73 CYP1A2 (0.40) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6847785 0.73 CYP1A2 (0.40) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6852560 0.73 CYP1A2 (0.43) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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 6 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
US-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — 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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 CYP1A2 1942/4885CYP2D6 125/4885CYP19A1 1360/4885

“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.