SCHEMBL4039456

SCHEMBL4039456

C/C(=C1\SC(=O)NC1=O)c1ccc(OCCCOc2c(-c3ccc(F)cc3)n(C)c3ccccc3c2=O)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 6/20 0.34
PLA2G2A P14555 1/20 0.34
CISD1 Q9NZ45 1/20 0.34
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
XBP1 P17861 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL4039459 1.00 BRD4 (0.37) BRD4HTTHPGDPLA2G2ACISD1
SCHEMBL4044326 0.91 L3MBTL1 (0.37) BRD4HTTHPGDPLA2G2ACISD1
SCHEMBL4039778 0.91 L3MBTL1 (0.37) BRD4HTTHPGDPLA2G2ACISD1
SCHEMBL14011579 0.91 L3MBTL1 (0.37) BRD4HTTHPGDPLA2G2ACISD1
SCHEMBL5044658 0.90 BRD4 (0.36) BRD4HTTPLA2G2AL3MBTL1RXFP1
SCHEMBL5044656 0.90 BRD4 (0.36) BRD4HTTPLA2G2AL3MBTL1RXFP1
SCHEMBL4042288 0.88 KDM4E (0.36) BRD4HPGDCISD1KMT2A
SCHEMBL4042290 0.88 KDM4E (0.36) BRD4HPGDCISD1KMT2A
SCHEMBL4222649 0.87 MGAM (0.34) BRD4HTTHPGDPLA2G2ACISD1
SCHEMBL4222648 0.87 MGAM (0.34) BRD4HTTHPGDPLA2G2ACISD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678157-A4 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF REDDY US THERAPEUTICS INC (US) 2009-03-18 EP disclosed
US-7456288-B2 Heterocyclic compounds and methods of making and using thereof REDDY US THERAPEUTICS, INC. (US) 2008-11-25 US disclosed
US-7456288-B2 Heterocyclic compounds and methods of making and using thereof REDDY US THERAPEUTICS, INC. (US) 2008-11-25 US disclosed
EP-1678157-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF Reddy US Therapeutics, Inc. (US) 2006-07-12 EP disclosed
US-20050119269-A1 Heterocyclic compounds and methods of making and using thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-02 US disclosed
WO-2005042712-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF REDDY US THERAPEUTICS, INC. (US) 2005-05-12 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-20050119269-A1 Heterocyclic compounds and methods of making and using thereof PYGM, MYLK, HMOX1 BRD4 784/4885HTT 2969/4885HPGD 49/4885

“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.