SCHEMBL6878447

SCHEMBL6878447

O=CC=Cc1ccc(-n2cncn2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
BLM P54132 1/20 0.38
FBP1 P09467 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
XDH P47989 1/20 0.37
S1PR3 Q99500 2/20 0.36
GPR119 Q8TDV5 2/20 0.36
POLB P06746 1/20 0.35
S1PR1 P21453 1/20 0.34
MAPT P10636 2/20 0.34
MITF O75030 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL6878441 1.00 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL1611931 0.85 ALDH1A1 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL7035428 0.83 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL14321518 0.80 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL6847707 0.80 CYP3A4 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL6847696 0.80 CYP3A4 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL6876904 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL6876899 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL6876185 0.76 KDM4E (0.72) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL6876178 0.76 KDM4E (0.72) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1

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 CYP1A2 1942/4885CYP3A4 1004/4885CYP2C9 956/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 CYP1A2 2899/4885CYP3A4 1070/4885CYP2C9 747/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E CYP1A2 3028/4885CYP3A4 1193/4885CYP2C9 753/4885

“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.