SCHEMBL5054792

SCHEMBL5054792

O=C(Cn1cncc1C(=O)O)Nc1ccc(Cl)cn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 5/20 0.52
RAB9A P51151 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
TSHR P16473 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 2/20 0.50
GLA P06280 1/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 2/20 0.48
PTK2 Q05397 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL5035614 0.76 POLB (0.54) TDP1SMN1; SMN2ALDH1A1RAB9AL3MBTL1
SCHEMBL27886037 0.74 TDP1 (0.73) TDP1SMN1; SMN2ALDH1A1RAB9AL3MBTL1
SCHEMBL2782641 0.74 LMNA (0.55) TDP1SMN1; SMN2ALDH1A1RAB9AL3MBTL1
SCHEMBL3963940 0.73 F10 (0.52) TDP1SMN1; SMN2ALDH1A1RAB9AL3MBTL1
SCHEMBL23933096 0.73 TDP1 (1.00) TDP1SMN1; SMN2ALDH1A1RAB9AL3MBTL1
SCHEMBL2188598 0.73 TDP1 (0.71) TDP1SMN1; SMN2ALDH1A1RAB9AL3MBTL1
SCHEMBL2944497 0.73 TDP1 (0.71) TDP1SMN1; SMN2ALDH1A1RAB9AL3MBTL1
SCHEMBL29883158 0.73 TDP1 (0.71) TDP1SMN1; SMN2ALDH1A1RAB9AL3MBTL1
SCHEMBL3963966 0.72 F10 (0.62) TDP1SMN1; SMN2ALDH1A1RAB9AL3MBTL1
SCHEMBL2952697 0.72 TSHR (0.69) TDP1SMN1; SMN2ALDH1A1RAB9AL3MBTL1

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-1569927-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP claimed
EP-1479674-A1 Imidiazole-derivatives as factor xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP claimed
US-20040171604-A1 Imidazole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-02 US claimed
WO-2004050636-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-17 WO claimed
EP-1426364-A1 Imidazole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-06-09 EP claimed
US-7358268-B2 Imidazole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-15 US disclosed
EP-1569927-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP disclosed
EP-1479674-A1 Imidiazole-derivatives as factor xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP disclosed
US-20040171604-A1 Imidazole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-02 US disclosed
WO-2004050636-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-17 WO disclosed
EP-1426364-A1 Imidazole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-06-09 EP 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-20040171604-A1 Imidazole derivatives as factor Xa inhibitors TFPI, F11, TFPI2 TDP1 520/4885SMN1; SMN2 3556/4885ALDH1A1 1152/4885

“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.