SCHEMBL6879795

SCHEMBL6879795

O=C/C=C/C=C/c1ccc(-n2cccn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
KDM4E B2RXH2 3/20 0.66
MAPK1 P28482 2/20 0.66
NOTUM Q6P988 1/20 0.49
HDAC4 P56524 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
TRPA1 O75762 1/20 0.39
LMNA P02545 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA10 Q9GZZ6 1/20 0.37
CHRNA9 Q9UGM1 1/20 0.37
NAMPT P43490 1/20 0.37
CHRM1 P11229 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
SCHEMBL6879800 1.00 ALDH1A1 (0.66) ALDH1A1KDM4EMAPK1NOTUMHDAC4
SCHEMBL6850578 0.94 ALDH1A1 (0.70) ALDH1A1KDM4EMAPK1NOTUMHDAC4
SCHEMBL6871245 0.94 ALDH1A1 (0.70) ALDH1A1KDM4EMAPK1NOTUMHDAC4
SCHEMBL10653293 0.83 KDM4E (0.72) ALDH1A1KDM4EMAPK1NOTUMHDAC4
SCHEMBL11410050 0.83 KDM4E (0.72) ALDH1A1KDM4EMAPK1NOTUMHDAC4
SCHEMBL7028415 0.83 KDM4E (0.58) ALDH1A1KDM4EMAPK1NOTUMHDAC4
SCHEMBL98459 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EMAPK1NOTUMHDAC4
SCHEMBL6881856 0.77 ALDH1A1 (0.51) ALDH1A1KDM4EMAPK1NOTUMTRPA1
SCHEMBL6881861 0.77 ALDH1A1 (0.51) ALDH1A1KDM4EMAPK1NOTUMTRPA1
SCHEMBL16549641 0.77 KDM4E (0.64) ALDH1A1KDM4EMAPK1NOTUMHDAC4

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 ALDH1A1 2109/4885KDM4E 18/4885MAPK1 3244/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 ALDH1A1 3560/4885KDM4E 2/4885MAPK1 3014/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E ALDH1A1 3629/4885KDM4E 3/4885MAPK1 3132/4885

“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.