SCHEMBL5865097

SCHEMBL5865097

CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2C(N)=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
GPR119 Q8TDV5 7/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
PDE4B Q07343 4/20 0.48
PDE4D Q08499 3/20 0.48
PDE4A P27815 2/20 0.48
PDE4C Q08493 2/20 0.48
KDM1A O60341 1/20 0.46
CHEK2 O96017 1/20 0.44

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
SCHEMBL5865096 0.91 ALDH1A1 (0.52) ALDH1A1LMNAMAPTGPR119SMN1; SMN2
SCHEMBL5970555 0.89 ALDH1A1 (0.50) ALDH1A1LMNAMAPTGPR119SMN1; SMN2
SCHEMBL5970838 0.88 GPR119 (0.52) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL5971702 0.86 ALDH1A1 (0.48) ALDH1A1LMNAMAPTGPR119SMN1; SMN2
SCHEMBL4465377 0.86 ALDH1A1 (0.54) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL5864805 0.86 PDE4D (0.50) ALDH1A1LMNAMAPTGPR119SMN1; SMN2
SCHEMBL5970747 0.85 ALDH1A1 (0.53) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL5864756 0.85 ALDH1A1 (0.53) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL31216598 0.85 GPR119 (0.64) ALDH1A1LMNAMAPTGPR119PDE4B
SCHEMBL31216608 0.85 GPR119 (0.64) ALDH1A1LMNAMAPTGPR119PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030138-B2 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2006-04-18 US disclosed
EP-1245564-B1 BENZAMIDINE DERIVATIVES SANKYO CO (JP) 2006-04-05 EP disclosed
US-20040248981-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-12-09 US disclosed
US-20040147555-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
US-20040010009-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-15 US disclosed
EP-1375482-A1 BENZAMIDINE DERIVATIVE Sankyo Company, Limited (JP) 2004-01-02 EP disclosed
US-6555556-B1 N-(4-(1-acetimidoylpiperidin-4-yl)oxyphenyl)-N-((E)-3-(3 -amidinophenyl)-2-methyl-2-propenyl)sulfamoylacetic acid dihydrochloride for example; factor Xa inhibitors SANKYO COMPANY, LIMITED (JP) 2003-04-29 US disclosed
EP-1245564-A1 BENZAMIDINE DERIVATIVES Sankyo Company, Limited (JP) 2002-10-02 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 (3 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-20040147555-A1 Benzamidine derivatives F9, F7, F2 ALDH1A1 1382/4885LMNA 1752/4885MAPT 4885/4885
US-20040010009-A1 Benzamidine derivatives HABP2, F7, F2 ALDH1A1 1918/4885LMNA 1709/4885MAPT 4879/4885
US-20040248981-A1 Benzamidine derivatives HABP2, F7, F2 ALDH1A1 1987/4885LMNA 1715/4885MAPT 4879/4885

“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.