SCHEMBL2748857

SCHEMBL2748857

COCNC(=O)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
PLAU P00749 1/20 0.48
DHODH Q02127 2/20 0.47
SIRT1 Q96EB6 2/20 0.46
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
NCEH1 Q6PIU2 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 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
SCHEMBL5848364 0.84 NPC1 (0.56) HPGDMEN1KMT2AHDAC3HDAC4
SCHEMBL1736411 0.83 CYP3A4 (0.53) CYP3A4PLAUDHODHSIRT1HPGD
SCHEMBL4102752 0.82 HPGD (0.49) PLAUHPGDLMNAL3MBTL1MEN1
SCHEMBL4097847 0.82 ALDH1A1 (0.43) PLAUHPGDALDH1A1
SCHEMBL12571872 0.80 OGG1 (0.66) CYP3A4PLAUDHODHSIRT1LMNA
SCHEMBL31069565 0.80 PLAU (0.51) CYP3A4PLAUDHODHSIRT1NCEH1
SCHEMBL13383872 0.78 ALDH1A1 (0.62) CYP3A4HPGDLMNAL3MBTL1ALDH1A1
SCHEMBL181238 0.77 PLAU (0.61) PLAUDHODHHPGDLMNANCEH1
SCHEMBL30369699 0.77 PLAU (0.61) PLAUDHODHHPGDLMNANCEH1
SCHEMBL15564138 0.77 L3MBTL1 (0.44) HPGDLMNAL3MBTL1MEN1ALDH1A1

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
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-20060241115-A1 Compounds and methods of use AMGEN INC. 2006-10-26 US disclosed
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 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-20060241115-A1 Compounds and methods of use HGF, HGFAC, MET CYP3A4 348/4885PLAU 549/4885DHODH 654/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET CYP3A4 348/4885PLAU 549/4885DHODH 654/4885

“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.