SCHEMBL6876899

SCHEMBL6876899

O=C/C=C/c1ccc(-n2cccn2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
MAPK1 P28482 4/20 0.44
KDM4E B2RXH2 3/20 0.44
KCNN4 O15554 1/20 0.38
KCNA5 P22460 1/20 0.38
MAPT P10636 5/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
G6PD P11413 1/20 0.38
KMT2A Q03164 1/20 0.38
ACLY P53396 2/20 0.38
XDH P47989 1/20 0.37
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
SMN1; SMN2 Q16637 2/20 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
SCHEMBL6876904 1.00 ALDH1A1 (0.44) ALDH1A1MAPK1KDM4EKCNN4KCNA5
SCHEMBL1610526 0.85 ALDH1A1 (0.57) ALDH1A1MAPK1KDM4EKCNN4KCNA5
SCHEMBL6854067 0.83 ALDH1A1 (0.40) ALDH1A1MAPK1KDM4EKCNN4KCNA5
SCHEMBL6881828 0.80 XDH (0.51) ALDH1A1MAPK1KDM4EMAPTLMNA
SCHEMBL6881836 0.80 XDH (0.51) ALDH1A1MAPK1KDM4EMAPTLMNA
SCHEMBL6850757 0.80 ALDH1A1 (0.41) ALDH1A1MAPK1KDM4EKCNN4KCNA5
SCHEMBL6850761 0.80 ALDH1A1 (0.41) ALDH1A1MAPK1KDM4EKCNN4KCNA5
SCHEMBL6878447 0.78 CYP1A2 (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6878441 0.78 CYP1A2 (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6871245 0.76 ALDH1A1 (0.70) ALDH1A1MAPK1KDM4EMAPTLMNA

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