SCHEMBL4928113

SCHEMBL4928113

O=C(NCc1ccccc1)c1cc(Br)c(Br)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
KMT2A Q03164 2/20 0.55
HDAC1 Q13547 3/20 0.53
HDAC6 Q9UBN7 3/20 0.52
PTGS2 P35354 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
CSNK2A2 P19784 2/20 0.51
KDR P35968 2/20 0.51
CSNK2B P67870 2/20 0.51
CSNK2A1 P68400 2/20 0.51
PLK1 P53350 1/20 0.51
CLK1 P49759 1/20 0.51
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
AKT1 P31749 1/20 0.50
MAPKAPK2 P49137 1/20 0.50

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
SCHEMBL4923339 0.82 HPGD (0.61) HPGDALDH1A1KDRCLK1SMN1; SMN2
SCHEMBL6510754 0.81 ACKR3 (0.52) HPGDKMT2AHDAC1HDAC6PTGS2
SCHEMBL4932450 0.79 ROCK1 (0.55) HPGDKMT2AHDAC1ALDH1A1CSNK2A2
SCHEMBL4927332 0.78 HPGD (0.65) HPGDKMT2AHDAC1HDAC6PTGS2
SCHEMBL425495 0.77 MMP12 (0.58) HPGDKMT2AHDAC1HDAC6PTGS2
SCHEMBL11650826 0.76 HPGD (0.55) HPGDHDAC1HDAC6PTGS2ALDH1A1
SCHEMBL12272055 0.74 ESRRG (0.46) HPGDKMT2AHDAC1PTGS2CLK1
SCHEMBL623403 0.74 SMN1; SMN2 (0.64) HPGDKMT2AHDAC1ALDH1A1SMN1; SMN2
SCHEMBL23474257 0.74 CSNK2A2 (0.55) HPGDKMT2AHDAC1HDAC6ALDH1A1
SCHEMBL12523457 0.73 MMP13 (0.50) HPGDHDAC1ALDH1A1CSNK2A2KDR

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
US-5369124-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1994-11-29 US claimed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 EP disclosed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 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-20080293716-A1 Chemical Compounds CYP11B2, CYP11B1, REN HPGD 398/4885KMT2A 4386/4885HDAC1 261/4885

“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.