SCHEMBL3370030

SCHEMBL3370030

O=C(Cn1c(C(=O)O)nc2c1CSC2C(=O)N1CCCOCC1)Nc1ccc(Cl)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.37
F10 P00742 4/20 0.36
WNT1 P04628 2/20 0.36
GSK3B P49841 2/20 0.36
DYRK1A Q13627 2/20 0.36
DEGS1 O15121 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
MOK Q9UQ07 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
F2 P00734 1/20 0.35
TDP1 Q9NUW8 1/20 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
SCHEMBL3370026 0.76 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ANPSR1TSHR
SCHEMBL3371009 0.75 MOK (0.44) ALDH1A1MEN1KMT2ANPSR1TSHR
SCHEMBL3369253 0.75 GRM5 (0.43) ALDH1A1MEN1KMT2ANPSR1F10
SCHEMBL5039023 0.75 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ANPSR1TSHR
SCHEMBL1378482 0.73 F10 (0.59) F10F2
SCHEMBL3373004 0.71 MOK (0.45) ALDH1A1MEN1KMT2ANPSR1TSHR
SCHEMBL3236594 0.71 GRM5 (0.44) ALDH1A1MEN1KMT2ANPSR1TSHR
SCHEMBL6017044 0.71 F10 (0.45) ALDH1A1MEN1KMT2ANPSR1F10
SCHEMBL2781204 0.70 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ANPSR1TSHR
SCHEMBL6016992 0.69 F10 (0.46) KMT2AF10MOKF2

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-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 EP claimed
US-7741341-B2 Benzimidazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-22 US claimed
JP-2006528213-A 2006-12-14 JP claimed
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP claimed
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US claimed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO claimed
EP-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 EP disclosed
US-7741341-B2 Benzimidazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-22 US disclosed
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP disclosed
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US disclosed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 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-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors F12, F11, F5 ALDH1A1 1259/4885MEN1 1321/4885KMT2A 930/4885

“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.