SCHEMBL412346

SCHEMBL412346

COCCC(N(CCCc1ccc(Br)cc1)C(=O)O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
LTB4R Q15722 2/20 0.37
LTB4R2 Q9NPC1 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
HSP90AA1 P07900 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
MMP2 P08253 4/20 0.34
MMP3 P08254 3/20 0.34
FOLH1 Q04609 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL408156 0.76 HDAC1 (0.47) TDP1LTB4RLTB4R2KDM4EGLA
SCHEMBL22804425 0.72 TAAR1 (0.46) TDP1LTB4RLTB4R2KDM4EGLA
SCHEMBL412345 0.71 L3MBTL1 (0.40) TDP1LTB4RLTB4R2KDM4EGLA
SCHEMBL2574637 0.70 MEN1 (0.44) LTB4RLTB4R2L3MBTL1KMT2AMEN1
SCHEMBL14865109 0.70 MEN1 (0.40) TDP1KMT2AMEN1POLB
SCHEMBL9888384 0.69 KDM4E (0.46) TDP1KDM4EGLAL3MBTL1KMT2A
SCHEMBL3574502 0.69 HDAC1 (0.52) TDP1KDM4EGLAL3MBTL1KMT2A
SCHEMBL29366016 0.67 KDM4E (0.41) TDP1LTB4RLTB4R2KDM4EGLA
SCHEMBL4858 0.67 TAAR1 (0.47) KDM4EGLAL3MBTL1POLBCTDSP1
SCHEMBL3615501 0.65 HDAC1 (0.46) TDP1KDM4EGLAL3MBTL1HDAC1

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
US-20130123275-A1 PYRAZINE DERIVATIVES ASTRAZENECA AB (SE) 2013-05-16 US disclosed
US-20120022082-A1 PYRAZINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-26 US disclosed
WO-2011089416-A1 PYRAZINE DERIVATIVES ASTRAZENECA AB (SE) 2011-07-28 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 (2 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-20130123275-A1 PYRAZINE DERIVATIVES IL5, BMP2, PTH1R TDP1 3884/4885LTB4R 1399/4885LTB4R2 1936/4885
US-20120022082-A1 PYRAZINE DERIVATIVES IL5, BMP2, PTH1R TDP1 3884/4885LTB4R 1399/4885LTB4R2 1936/4885

“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.