SCHEMBL6854054

SCHEMBL6854054

SCCc1ccc(-c2ncccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.59
CLK4 Q9HAZ1 3/20 0.44
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP3A4 P08684 2/20 0.35
AOC3 Q16853 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
RIPK1 Q13546 1/20 0.34
NPC1 O15118 1/20 0.33
DYRK1A Q13627 1/20 0.32

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
SCHEMBL6850529 0.83 ADRB2 (0.63) ADRB2CLK4RAB9ACYP2A6CYP3A4
SCHEMBL22874285 0.80 HRH3 (0.38) ADRB2RAB9AKDM4EMEN1USP2
SCHEMBL23291109 0.79 ADRB2 (0.70) ADRB2KDM4EALDH1A1SMN1; SMN2CYP2A6
SCHEMBL6850753 0.79 ADRB2 (0.59) ADRB2CLK4RAB9AKDM4EMEN1
SCHEMBL6275261 0.79 ADRB2 (0.59) ADRB2CLK4RAB9AKDM4EMEN1
SCHEMBL10511755 0.79 ADRB2 (0.59) ADRB2CLK4RAB9AKDM4EMEN1
SCHEMBL1129824 0.79 CYP1A2 (0.47) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6685962 0.76 CLK4 (0.64) ADRB2CLK4RAB9AKDM4EMEN1
SCHEMBL6847780 0.76 ADRB2 (0.55) ADRB2CLK4RAB9AKDM4EMEN1
SCHEMBL7029715 0.76 RAB9A (0.58) ADRB2CLK4RAB9AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4390/4885CLK4 3870/4885RAB9A 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.