SCHEMBL5094485

SCHEMBL5094485

O=Cc1ccccc1-c1ccc(Br)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
XDH P47989 1/20 0.41
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AR P10275 1/20 0.38
ERN1 O75460 6/20 0.38
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
KCNN4 O15554 1/20 0.36
IDO1 P14902 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL3941247 0.87 XDH (0.41) XDHPTPRCPTPN1MEN1LMNA
SCHEMBL2474403 0.80 PDE3B (0.45) XDHPTPRCPTPN1MEN1LMNA
SCHEMBL2476180 0.80 TNKS (0.46) XDHPTPRCPTPN1MEN1LMNA
SCHEMBL3161240 0.80 XDH (0.41) XDHPTPRCPTPN1MEN1LMNA
SCHEMBL2477166 0.80 PTGER1 (0.47) XDHPTPRCPTPN1MEN1LMNA
SCHEMBL1129691 0.78 XDH (0.51) XDHPTPRCMEN1LMNATHRB
SCHEMBL23480395 0.77 ALOX5AP (0.42) PTPRCPTPN1MEN1LMNATHRB
SCHEMBL1631167 0.77 PTGS2 (0.54) XDHMEN1LMNATHRBBLM
SCHEMBL28743346 0.76 XDH (0.38) XDHPTPRCPTPN1MEN1LMNA
SCHEMBL2562357 0.76 ACMSD (0.50) PTPN1MEN1LMNAKMT2AERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446210-B2 Factor Xa compounds JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-04 US disclosed
EP-1807082-A2 FACTOR XA COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-18 EP disclosed
US-20060199809-A1 Factor Xa compounds JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-07 US disclosed
WO-2006047415-A2 FACTOR XA COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-04 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 (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-20060199809-A1 Factor Xa compounds F11, F12, F5 KIF11 4112/4885XDH 40/4885PTPRC 4236/4885

“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.