SCHEMBL1027240

SCHEMBL1027240

O=C(O)c1ccc(-n2ccccc2=O)cc1F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.48
RORC P51449 1/20 0.48
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.40
PIM3 Q86V86 1/20 0.40
HIPK4 Q8NE63 1/20 0.40
SCN2A Q99250 1/20 0.40

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
SCHEMBL12956033 0.86 F10 (0.47) F10
SCHEMBL1030894 0.86 F10 (0.47) F10
Hydrochloric Acid SCHEMBL4999282 0.85 F10 (0.47) F10
SCHEMBL4690430 0.82 F10 (0.47) F10
Trifluoroacetic Acid SCHEMBL3448168 0.82 F10 (0.45) F10MAPK1
SCHEMBL1277577 0.78 POLB (0.41) F10ALDH1A1KDM4EPOLBHPGD
SCHEMBL1999384 0.78 F10 (0.51) F10POLBHSD17B10
SCHEMBL4056635 0.76 F10 (0.53) F10
SCHEMBL2001645 0.76 PTGS2 (0.44) F10
SCHEMBL1698958 0.76 F10 (0.40) F10

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101208334-B Novel cyclic amines HOFFMANN LA ROCHE 2012-06-13 CN disclosed
EP-1814855-B1 DICARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-19 EP disclosed
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 US disclosed
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 US disclosed
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 US disclosed
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES BOEHRINGER MARKUS 2009-10-29 US disclosed
US-7501413-B2 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
EP-1603572-A4 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-25 EP disclosed
CN-101208334-A Novel cyclic amines HOFFMANN LA ROCHE (CH) 2008-06-25 CN disclosed
EP-1877404-A2 NOVEL CYCLIC AMINES F. Hoffmann-Roche AG (CH) 2008-01-16 EP disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
WO-2006114401-A2 NOVEL CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 WO disclosed
WO-2006114401-A2 NOVEL CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 WO disclosed
US-20060247238-A1 Cyclic amines F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 US disclosed
US-20060106016-A1 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. 2006-05-18 US disclosed
WO-2006048152-A2 DICARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-11 WO disclosed
EP-1603572-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP disclosed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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 (5 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-20060106016-A1 Dicarboxamide derivatives F2, F12, TFPI F10 8/4885RORC 4376/4885ALDH1A1 1180/4885
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES F2, F12, TFPI F10 8/4885RORC 4376/4885ALDH1A1 1180/4885
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD F10 53/4885RORC 4821/4885ALDH1A1 3204/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 F10 36/4885RORC 4727/4885ALDH1A1 3153/4885
US-20060247238-A1 Cyclic amines F12, F11, F2 F10 4/4885RORC 4315/4885ALDH1A1 2056/4885

“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.