SCHEMBL6847862

SCHEMBL6847862

O=C/C=C/c1cccc(-n2cncn2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.37
CYP2A6 P11509 1/20 0.34
FBP1 P09467 1/20 0.34
PDE10A Q9Y233 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30
GLA P06280 1/20 0.30
HTT P42858 1/20 0.30
PIM1 P11309 1/20 0.30
LMNA P02545 2/20 0.30
TRPA1 O75762 1/20 0.30
ALOX5 P09917 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL6847864 1.00 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2MAPTCYP2A6
SCHEMBL6850475 0.94 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2MAPTCYP2A6
SCHEMBL6850473 0.94 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2MAPTCYP2A6
SCHEMBL7209327 0.82 ALDH1A1 (0.36) ALDH1A1KDM4ESMN1; SMN2MAPTCYP2A6
SCHEMBL6881052 0.78 KDM4E (0.41) ALDH1A1KDM4EKMT2ALMNAMAPK1
SCHEMBL6881055 0.78 KDM4E (0.41) ALDH1A1KDM4EKMT2ALMNAMAPK1
SCHEMBL28303005 0.77 CYP2A6 (0.47) ALDH1A1KDM4ESMN1; SMN2MAPTCYP2A6
SCHEMBL5769923 0.69 CYP2A6 (0.41) ALDH1A1KDM4ESMN1; SMN2MAPTCYP2A6
SCHEMBL16419707 0.69 IRAK4 (0.38) ALDH1A1KDM4ESMN1; SMN2MAPTCYP2A6
SCHEMBL6876185 0.69 KDM4E (0.72) ALDH1A1KDM4ESMN1; SMN2MAPTCYP2A6

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 10 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
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
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
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 18/4885SMN1; SMN2 4073/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 ALDH1A1 3560/4885KDM4E 2/4885SMN1; SMN2 4344/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E ALDH1A1 3629/4885KDM4E 3/4885SMN1; 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.