SCHEMBL6854096

SCHEMBL6854096

O=C/C=C/c1cnn(-c2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
ALDH1A1 P00352 6/20 0.50
LMNA P02545 2/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
TRPA1 O75762 1/20 0.50
ALOX5 P09917 1/20 0.50
MAPK1 P28482 1/20 0.50
MTOR P42345 2/20 0.48
HPGDS O60760 1/20 0.47
ALKBH2 Q6NS38 1/20 0.47
GAA P10253 1/20 0.47
RPTOR Q8N122 1/20 0.46
MLST8 Q9BVC4 1/20 0.46
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL6854100 1.00 NPC1 (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL70114 0.82 NPC1 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
Water SCHEMBL17731583 0.81 NPC1 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL6851929 0.79 NPC1 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL6847942 0.79 NPC1 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL9191311 0.77 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL6850593 0.75 RAB9A (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL6850600 0.75 RAB9A (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL6880030 0.74 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL6880034 0.74 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
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 NPC1 2962/4885RAB9A 982/4885SMN1; SMN2 4073/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 NPC1 3291/4885RAB9A 485/4885SMN1; SMN2 4344/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E NPC1 3251/4885RAB9A 442/4885SMN1; 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.