SCHEMBL6852190

SCHEMBL6852190

O=CC#Cc1ccc(-c2ncccn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.40
ADRB2 P07550 1/20 0.40
VCP P55072 1/20 0.36
AOC3 Q16853 2/20 0.36
CYP2A6 P11509 1/20 0.34
HDAC4 P56524 1/20 0.33
CYP3A4 P08684 1/20 0.33
ERN1 O75460 1/20 0.32
GRM5 P41594 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL6881921 0.81 NPC1 (0.39) NPC1RAB9A
SCHEMBL6852214 0.81 CYP1A2 (0.44) CYP2A6CYP1A2
SCHEMBL6879614 0.81 HDAC4 (0.36) HDAC4NPC1RAB9A
SCHEMBL6850711 0.80 MEN1 (0.36) GRM5NPC1
SCHEMBL2546040 0.78 CLK4 (0.47) CLK4ADRB2VCPAOC3CYP2A6
SCHEMBL6879864 0.77 RARB (0.37) CYP2A6NPC1RAB9A
SCHEMBL6848148 0.77 MAPT (0.44) CYP3A4ERN1GRM5
SCHEMBL6852660 0.77 NPC1 (0.38) CLK4CYP2A6CYP3A4ERN1GRM5
SCHEMBL6850564 0.76 NPC1 (0.48) GRM5NPC1RAB9A
SCHEMBL6852094 0.76 KMO (0.33)

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 CLK4 3870/4885ADRB2 4390/4885VCP 4522/4885

“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.