SCHEMBL6876178

SCHEMBL6876178

O=C/C=C/c1ccc(-n2cncn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.72
ALDH1A1 P00352 6/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
FBP1 P09467 1/20 0.61
MAPT P10636 5/20 0.47
HSP90AA1 P07900 1/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 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
CYP2A6 P11509 1/20 0.41
KCNJ1 P48048 1/20 0.38
XDH P47989 1/20 0.36
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL6876185 1.00 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL951176 0.84 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL26300514 0.79 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL6702626 0.79 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL5216721 0.78 SMN1; SMN2 (0.63) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL5216726 0.78 SMN1; SMN2 (0.63) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL27905069 0.78 SMN1; SMN2 (0.72) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL28737999 0.76 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL6878447 0.76 CYP1A2 (0.49) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL6878441 0.76 CYP1A2 (0.49) KDM4EALDH1A1SMN1; SMN2FBP1MAPT

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 KDM4E 18/4885ALDH1A1 2109/4885SMN1; SMN2 4073/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 KDM4E 2/4885ALDH1A1 3560/4885SMN1; SMN2 4344/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E KDM4E 3/4885ALDH1A1 3629/4885SMN1; SMN2 4281/4885

“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.