SCHEMBL5035614

SCHEMBL5035614

O=C(Cn1cc([N+](=O)[O-])cc1C(=O)O)Nc1ccc(Cl)cn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
LMNA P02545 2/20 0.54
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 5/20 0.47
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.44
CGAS Q8N884 1/20 0.43

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
SCHEMBL5054792 0.76 TDP1 (0.57) POLBLMNAKMT2AMEN1RAB9A
SCHEMBL5040147 0.71 GRM5 (0.45) LMNAKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL2782641 0.70 LMNA (0.55) POLBLMNARAB9ATDP1ALDH1A1
SCHEMBL6297661 0.70 RAB9A (0.72) POLBLMNAKMT2AMEN1RAB9A
SCHEMBL3963940 0.70 F10 (0.52) LMNARAB9ATDP1ALDH1A1L3MBTL1
SCHEMBL3963966 0.69 F10 (0.62) POLBLMNARAB9ATDP1ALDH1A1
SCHEMBL27886037 0.68 TDP1 (0.73) POLBLMNARAB9ATDP1ALDH1A1
SCHEMBL2781136 0.68 LMNA (0.48) POLBLMNARAB9ATDP1ALDH1A1
SCHEMBL18147747 0.68 SMN1; SMN2 (0.64) POLBLMNAKMT2AMEN1RECQL
SCHEMBL5053481 0.67 RAB9A (0.50) POLBLMNAKMT2ARAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465806-B2 Pyrrole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-16 US claimed
US-20070049573-A1 Pyrrole-Derivatives as Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-01 US claimed
EP-1725550-A2 PYRROLE-DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-29 EP claimed
WO-2005085239-A2 PYRROLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-09-15 WO claimed
EP-1568698-A1 Pyrrole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-08-31 EP claimed
US-7465806-B2 Pyrrole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-16 US disclosed
US-20070049573-A1 Pyrrole-Derivatives as Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-01 US disclosed
EP-1725550-A2 PYRROLE-DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-29 EP disclosed
WO-2005085239-A2 PYRROLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-09-15 WO disclosed
EP-1568698-A1 Pyrrole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-08-31 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-20070049573-A1 Pyrrole-Derivatives as Factor Xa Inhibitors F12, F2, F5 POLB 438/4885LMNA 472/4885KMT2A 1753/4885

“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.