SCHEMBL5210378

SCHEMBL5210378

O=C(O)CCCCc1ccnc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
TBXAS1 P24557 4/20 0.45
LTB4R Q15722 3/20 0.45
F13A1 P00488 3/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL7832661 0.98 MAPT (0.51) CYP1A2MAPTRXFP1LOXL2TBXAS1
SCHEMBL7829170 0.98 MAPT (0.51) CYP1A2MAPTRXFP1LOXL2TBXAS1
SCHEMBL5273635 0.95 CYP1A2 (0.52) CYP1A2LOXL2LTB4RMEN1KMT2A
SCHEMBL1650885 0.89 CYP1A2 (0.55) CYP1A2LOXL2KMT2ASMN1; SMN2HDAC6
SCHEMBL30684525 0.84 CHRM1 (0.56) TBXAS1MEN1KMT2ASMN1; SMN2
SCHEMBL2331919 0.83 LOXL2 (0.62) CYP1A2MAPTLOXL2TBXAS1ADRA1A
SCHEMBL2333461 0.83 LOXL2 (0.62) CYP1A2MAPTLOXL2TBXAS1ADRA1A
SCHEMBL7834671 0.82 HDAC1 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7829190 0.82 HDAC1 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL2846592 0.82 CYP1A2 (0.49) CYP1A2LOXL2KMT2AHDAC6

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 375/4885MAPT 3557/4885RXFP1 619/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 CYP1A2 375/4885MAPT 3557/4885RXFP1 619/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 CYP1A2 362/4885MAPT 3349/4885RXFP1 763/4885

“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.