SCHEMBL5273635

SCHEMBL5273635

O=C(O)CCCc1ccnc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
LOXL2 Q9Y4K0 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HDAC3 O15379 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
HDAC4 P56524 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
ALOX15 P16050 1/20 0.47

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
SCHEMBL5210378 0.95 CYP1A2 (0.51) CYP1A2LOXL2KMT2AMEN1SMN1; SMN2
SCHEMBL7832661 0.94 MAPT (0.51) CYP1A2LOXL2LTB4R
SCHEMBL7829170 0.94 MAPT (0.51) CYP1A2LOXL2LTB4R
SCHEMBL1650885 0.90 CYP1A2 (0.55) CYP1A2LOXL2KMT2ASMN1; SMN2HDAC6
SCHEMBL30684525 0.89 CHRM1 (0.56) KMT2AMEN1SMN1; SMN2HTTCHRM1
SCHEMBL21820732 0.86 LOXL2 (0.49) CYP1A2LOXL2KMT2AMEN1HDAC3
Trifluoroacetic Acid SCHEMBL2846592 0.83 CYP1A2 (0.49) CYP1A2LOXL2KMT2AHDAC6CHRM1
SCHEMBL7992922 0.83 MEN1 (0.48) CYP1A2KMT2AMEN1SMN1; SMN2HDAC3
SCHEMBL17537572 0.82 HDAC3 (0.63) CYP1A2KMT2AMEN1SMN1; SMN2HDAC3
SCHEMBL8496699 0.81 HTT (0.44) KMT2AMEN1SMN1; SMN2HDAC3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 CYP1A2 375/4885LOXL2 2767/4885KMT2A 2302/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 CYP1A2 375/4885LOXL2 2767/4885KMT2A 2302/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 CYP1A2 362/4885LOXL2 2233/4885KMT2A 2312/4885

“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.