SCHEMBL6847780

SCHEMBL6847780

[CH2]CCCc1ccc(-c2ncccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.55
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 1/20 0.41
NPC1 O15118 2/20 0.36
NFKB1 P19838 1/20 0.36
S1PR1 P21453 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2A6 P11509 1/20 0.35

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
SCHEMBL6847930 0.94 ADRB2 (0.53) ADRB2ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL6275261 0.88 ADRB2 (0.59) ADRB2ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL6847927 0.81 ADRB2 (0.55) ADRB2ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL7029715 0.81 RAB9A (0.58) ADRB2ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL6270017 0.79 ADRB2 (0.63) ADRB2RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL27594237 0.79 ALDH1A1 (0.66) ADRB2ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL10513846 0.78 ALDH1A1 (0.69) ADRB2ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL10512156 0.78 ALDH1A1 (0.69) ADRB2ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL10511667 0.78 ALDH1A1 (0.69) ADRB2ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL10510643 0.78 ALDH1A1 (0.69) ADRB2ALDH1A1RAB9ASMN1; SMN2HPGD

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 5 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
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 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 (1 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 ADRB2 4390/4885ALDH1A1 2109/4885RAB9A 982/4885

“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.