SCHEMBL6877018

SCHEMBL6877018

Cc1ccnc(-c2ccc(C=CC=O)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
TRPA1 O75762 1/20 0.39
ALOX5 P09917 1/20 0.39
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
XDH P47989 2/20 0.34
POLB P06746 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
PRNP P04156 1/20 0.34
GAA P10253 1/20 0.34
KDM1A O60341 1/20 0.34
HDAC1 Q13547 1/20 0.34
BRD4 O60885 1/20 0.33
MAP4K4 O95819 1/20 0.33
PLIN1 O60240 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL6877013 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL6847816 0.83 CYP2A6 (0.42) ALDH1A1KDM4EMAPTLMNAMEN1
SCHEMBL6847791 0.81 MEN1 (0.38) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6878523 0.81 XDH (0.39) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL6878533 0.81 XDH (0.39) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL5799192 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL5799195 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTLMNAMAPK1
SCHEMBL10968391 0.79 MEN1 (0.47) ALDH1A1KDM4EMAPTLMNAMEN1
SCHEMBL10968392 0.79 MEN1 (0.47) ALDH1A1KDM4EMAPTLMNAMEN1
SCHEMBL2666244 0.74 MEN1 (0.59) ALDH1A1KDM4EMAPTLMNAMEN1

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 8 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
EP-1343798-A1 6-O-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2003-09-17 EP 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
WO-2002046204-A1 6-0-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-06-13 WO 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 18/4885MAPT 4142/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 ALDH1A1 3560/4885KDM4E 2/4885MAPT 3982/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E ALDH1A1 3629/4885KDM4E 3/4885MAPT 4095/4885

“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.