SCHEMBL6870749

SCHEMBL6870749

O=CC=Cc1ccc(-n2ccnn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.51
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
CYP19A1 P11511 1/20 0.42
MAPK1 P28482 2/20 0.41
TRPA1 O75762 1/20 0.41
LMNA P02545 1/20 0.41
ALOX5 P09917 1/20 0.41
KCNJ1 P48048 1/20 0.41
KEAP1 Q14145 1/20 0.39
XDH P47989 1/20 0.36

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
SCHEMBL6870744 1.00 NOTUM (0.51) NOTUMALDH1A1KDM4EMAPTCYP19A1
SCHEMBL1124165 0.82 KCNJ1 (0.59) NOTUMALDH1A1KDM4ECYP19A1MAPK1
SCHEMBL6850789 0.79 NOTUM (0.55) NOTUMALDH1A1KDM4ECYP19A1MAPK1
SCHEMBL10447781 0.78 NOTUM (0.78) NOTUMCYP19A1KEAP1
SCHEMBL6871245 0.77 ALDH1A1 (0.70) NOTUMALDH1A1KDM4EMAPTMAPK1
SCHEMBL6850578 0.77 ALDH1A1 (0.70) NOTUMALDH1A1KDM4EMAPTMAPK1
SCHEMBL6852221 0.75 NOTUM (0.50) NOTUMALDH1A1KDM4ECYP19A1MAPK1
SCHEMBL6852216 0.75 NOTUM (0.50) NOTUMALDH1A1KDM4ECYP19A1MAPK1
SCHEMBL8491473 0.73 NOTUM (0.44) NOTUMCYP19A1KEAP1
SCHEMBL6658923 0.72 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTMAPK1TRPA1

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 NOTUM 2862/4885ALDH1A1 2109/4885KDM4E 18/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 NOTUM 2536/4885ALDH1A1 3560/4885KDM4E 2/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E NOTUM 2230/4885ALDH1A1 3629/4885KDM4E 3/4885

“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.