SCHEMBL6795706

SCHEMBL6795706

N#Cc1cccc(/C=C/CCCOC(=O)OCCC/C=C/c2cccc(C#N)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
P4HB P07237 15/20 0.47
FBP1 P09467 1/20 0.46
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
GSK3B P49841 1/20 0.41

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
SCHEMBL6795707 0.91 PDCD1 (0.49) PDCD1CD274P4HBFBP1MAOA
SCHEMBL9101368 0.82 TBXAS1 (0.49) PDCD1CD274P4HBFBP1MAOA
SCHEMBL9514413 0.82 PDCD1 (0.57) PDCD1CD274P4HBFBP1MAOA
SCHEMBL9514417 0.82 PDCD1 (0.57) PDCD1CD274P4HBFBP1MAOA
SCHEMBL5970556 0.82 PDCD1 (0.57) PDCD1CD274P4HBFBP1MAOA
SCHEMBL5970550 0.82 PDCD1 (0.57) PDCD1CD274P4HBFBP1MAOA
SCHEMBL712358 0.79 FBP1 (0.48) PDCD1CD274P4HBFBP1
SCHEMBL921088 0.79 FBP1 (0.48) PDCD1CD274P4HBFBP1
SCHEMBL712359 0.79 FBP1 (0.48) PDCD1CD274P4HBFBP1
SCHEMBL6166104 0.78 PDCD1 (0.60) PDCD1CD274P4HBFBP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248981-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-12-09 US disclosed
US-20040010009-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-15 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040010009-A1 Benzamidine derivatives HABP2, F7, F2 PDCD1 3406/4885CD274 4342/4885P4HB 808/4885
US-20040248981-A1 Benzamidine derivatives HABP2, F7, F2 PDCD1 3414/4885CD274 4296/4885P4HB 796/4885

“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.