SCHEMBL5847015

SCHEMBL5847015

CCOC(=O)c1nccc(Br)c1CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
GABRA1 P14867 4/20 0.42
GABRG2 P18507 4/20 0.42
GABRB3 P28472 4/20 0.42
GABRA5 P31644 4/20 0.42
GABRA3 P34903 4/20 0.42
GABRA2 P47869 4/20 0.42
TARBP2 Q15633 1/20 0.42
MAPT P10636 2/20 0.41
GABRA6 Q16445 2/20 0.41
NUDT1 P36639 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
PDE4A P27815 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL30662586 0.84 BRD4 (0.49) BRD4TARBP2MAPTNUDT1KDM4E
SCHEMBL29255755 0.83 BRD4 (0.48) BRD4GABRA1GABRG2GABRB3GABRA5
SCHEMBL28340169 0.81 BRD4 (0.47) BRD4GABRA1GABRG2GABRB3GABRA5
SCHEMBL28550577 0.81 BRD4 (0.47) BRD4TARBP2MAPTNUDT1KDM4E
SCHEMBL27167369 0.79 BRD4 (0.45) BRD4TARBP2MAPTNUDT1KDM4E
SCHEMBL22890763 0.78 BRD4 (0.44) BRD4GABRA1GABRG2GABRB3GABRA5
SCHEMBL6759202 0.78 BRD4 (0.60) BRD4TARBP2MAPTKDM4EL3MBTL1
SCHEMBL28911336 0.77 BRD4 (0.49) BRD4TARBP2MAPTNUDT1KDM4E
SCHEMBL14895438 0.76 BRD4 (0.48) BRD4MAPTNUDT1KDM4EALOX15
SCHEMBL21843252 0.75 BRD4 (0.56) BRD4MAPTKDM4EALOX15L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119094-B1 Substituted polycyclic aryl and heteroarpyl pyrazinones useful for selective inhibition of the coagulation cascade WARNER-LAMBERT COMPANY (US) 2006-10-10 US disclosed
US-6908919-B2 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-06-21 US disclosed
US-20040006230-A1 Useful as inhibitors of serine proteases; for therapy and prophylaxis of thrombotic conditions including coronary artery and cerebrovascular diseases PHARMACIA CORPORATION 2004-01-08 US disclosed
EP-1292579-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-03-19 EP disclosed
WO-2001087854-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 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-20040006230-A1 Useful as inhibitors of serine proteases; for therapy and prophylaxis of thrombotic conditions including coronary artery and cerebrovascular diseases PRSS1, SERPINC1, SERPINE1 BRD4 1454/4885GABRA1 2487/4885GABRG2 3375/4885

“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.