SCHEMBL841658

SCHEMBL841658

CC(=O)c1ccc(Sc2ccncc2)c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.59
MAPT P10636 1/20 0.42
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KIF11 P52732 1/20 0.40
ALDH1A1 P00352 1/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
BRAF P15056 2/20 0.37
ICAM1 P05362 2/20 0.36
ITGB2 P05107 1/20 0.36
ITGAL P20701 1/20 0.36
SELE P16581 1/20 0.36
VNN1 O95497 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
KIT P10721 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
PDE4B Q07343 2/20 0.35

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
SCHEMBL22641736 0.79 KIF11 (0.49) MAPTHPGDLMNAL3MBTL1KIF11
SCHEMBL8374501 0.78 PDE7A (0.39) PDE7AAKR1C3ICAM1ITGB2ITGAL
SCHEMBL8441479 0.78 PDE7A (0.39) PDE7AAKR1C3ICAM1ITGB2ITGAL
SCHEMBL8737036 0.78 DDAH1 (0.41) PDE7AHPGDLMNAL3MBTL1KIF11
SCHEMBL27797568 0.77 AKR1C3 (0.40) PDE7AAKR1C3AKR1C2ICAM1ITGB2
SCHEMBL17290750 0.77 KIF11 (0.47) MAPTHPGDLMNAL3MBTL1KIF11
SCHEMBL8374504 0.76 PDE7A (0.38) PDE7AMAPTBRAFICAM1ITGB2
SCHEMBL177741 0.75 PDE7A (0.52) PDE7AMAPTHPGDKIF11ALDH1A1
SCHEMBL8311986 0.73 HPGD (0.76) PDE7AMAPTHPGDLMNAL3MBTL1
Guanidine SCHEMBL8517989 0.73 TBXAS1 (0.38) PDE7AAKR1C3ICAM1ITGB2ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176223-B1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI SA (FR) 2013-01-23 EP disclosed
EP-2176223-B1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI SA (FR) 2013-01-23 EP disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
EP-2176223-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY Sanofi-Aventis (FR) 2010-04-21 EP disclosed
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 WO disclosed
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 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-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY F7, F9, TFPI PDE7A 581/4885MAPT 4829/4885HPGD 1790/4885

“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.