SCHEMBL6847987

SCHEMBL6847987

OC/C=C/c1ccc(-n2cccn2)nc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CXCR4 P61073 2/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
CHRNA7 P36544 1/20 0.38
HPGD P15428 2/20 0.37
NAMPT P43490 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL6847990 1.00 LMNA (0.51) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL6852206 0.82 LMNA (0.50) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL6847991 0.80 ALDH1A1 (0.58) LMNAKMT2AKDM4EALDH1A1MAPK1
SCHEMBL6847993 0.80 ALDH1A1 (0.58) LMNAKMT2AKDM4EALDH1A1MAPK1
SCHEMBL6879460 0.79 LMNA (0.51) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL6879464 0.79 LMNA (0.51) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL17819775 0.78 KDM4E (0.60) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL1599534 0.75 LMNA (0.56) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL30046017 0.75 LMNA (0.56) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL6850761 0.73 ALDH1A1 (0.41) LMNAKMT2AKDM4EALDH1A1MAPK1

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
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP 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
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO 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 LMNA 4303/4885KMT2A 565/4885KDM4E 18/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 LMNA 4459/4885KMT2A 673/4885KDM4E 2/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E LMNA 4263/4885KMT2A 657/4885KDM4E 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.