SCHEMBL6880937

SCHEMBL6880937

O=C/C=C/c1ccc(-n2ccnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.53
PDE3B Q13370 3/20 0.52
PDE3A Q14432 3/20 0.52
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
ENPP2 Q13822 1/20 0.51
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
NOTUM Q6P988 1/20 0.51
CYP3A4 P08684 2/20 0.50
BAZ2B Q9UIF8 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
CYP17A1 P05093 1/20 0.48
CYP21A2 P08686 1/20 0.48
CYP11B1 P15538 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MITF O75030 1/20 0.47

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
SCHEMBL6880941 1.00 MAOB (0.53) MAOBPDE3BPDE3AMAPTLMNA
SCHEMBL22641623 0.95 MEN1 (0.57) MAOBPDE3BPDE3AMAPTLMNA
SCHEMBL209879 0.84 MAPT (0.60) MAOBPDE3BPDE3AMAPTLMNA
SCHEMBL8288350 0.84 MAPT (0.60) MAOBPDE3BPDE3AMAPTLMNA
SCHEMBL22641729 0.82 ADH5 (0.59) MAOBPDE3BPDE3AMAPTMEN1
SCHEMBL22579260 0.79 MEN1 (0.66) MAOBPDE3BPDE3AMAPTLMNA
SCHEMBL7295758 0.79 MAPT (0.55) MAOBPDE3BPDE3AMAPTLMNA
SCHEMBL6847884 0.79 MAPT (0.55) MAOBPDE3BPDE3AMAPTLMNA
SCHEMBL2604923 0.79 CYP3A4 (0.69) MAOBPDE3BPDE3AMAPTLMNA
SCHEMBL8392726 0.79 CYP3A4 (0.69) MAOBPDE3BPDE3AMAPTLMNA

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
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 US disclosed
US-6613747-B2 Erythromycins to treat community-acquired pneumonia and upper and lower respiratory tract, skin and soft tissue, hospital-acquired lung, bone and joint infections; Staphyloccus; Enterococcus; Moraxella; Hemophilus; antibiotic resistance ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-02 US disclosed
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
US-6472372-B1 6-O-Carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 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 (3 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 MAOB 2027/4885PDE3B 4526/4885PDE3A 4397/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 MAOB 3979/4885PDE3B 4044/4885PDE3A 3389/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E MAOB 4309/4885PDE3B 3981/4885PDE3A 3239/4885

“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.