SCHEMBL3236594

SCHEMBL3236594

O=C(Cn1c(C(=O)O)cc2cc(C(=O)N3CCCOCC3)ccc21)Nc1ccc(Cl)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.44
F10 P00742 5/20 0.44
F2 P00734 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
MOK Q9UQ07 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
PHGDH O43175 1/20 0.40
SRC P12931 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL5619633 0.86 HRH3 (0.41) HRH3MOKALDH1A1MAPK1TSHR
SCHEMBL3369253 0.86 GRM5 (0.43) GRM5F10MOKALDH1A1MAPK1
SCHEMBL1652749 0.84 F10 (0.69) F10F2
SCHEMBL5618711 0.84 F10 (0.47) GRM5F10F2ALDH1A1NPSR1
SCHEMBL5039023 0.83 ALDH1A1 (0.46) GRM5F10MOKALDH1A1MAPK1
SCHEMBL5618454 0.83 MOK (0.44) F10F2MOKALDH1A1MEN1
SCHEMBL5040147 0.82 GRM5 (0.45) GRM5F10MOKALDH1A1MAPK1
SCHEMBL4416019 0.81 GRM5 (0.43) GRM5F10MOKALDH1A1MAPK1
SCHEMBL2781204 0.80 ALDH1A1 (0.45) GRM5F10MOKALDH1A1MEN1
SCHEMBL3963940 0.80 F10 (0.52) F10F2ALDH1A1MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633746-B1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-28 EP claimed
US-7196103-B2 Indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-27 US claimed
JP-2006528940-A 2006-12-28 JP claimed
EP-1633746-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-15 EP claimed
US-20050033049-A1 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-10 US claimed
WO-2004101554-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO claimed
EP-1479677-A1 New indole derivatives as factor xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP claimed
EP-1633746-B1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-28 EP disclosed
US-7196103-B2 Indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-27 US disclosed
EP-1633746-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-15 EP disclosed
US-20050033049-A1 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-10 US disclosed
WO-2004101554-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed
EP-1479677-A1 New indole derivatives as factor xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 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-20050033049-A1 Indole derivatives as factor Xa inhibitors TFPI, TFPI2, F2 GRM5 2902/4885F10 10/4885F2 3/4885

“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.