SCHEMBL7057421

SCHEMBL7057421

CN(CC(=O)O)c1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.47
MAOB P27338 1/20 0.46
KCNN4 O15554 1/20 0.46
KCNA5 P22460 1/20 0.46
GSK3B P49841 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
MEP1A Q16819 1/20 0.43
MEP1B Q16820 1/20 0.43
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
CLK1 P49759 1/20 0.40
HSD11B1 P28845 1/20 0.39
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
NOTUM Q6P988 1/20 0.39
PER2 O15055 1/20 0.39
CRY1 Q16526 1/20 0.39
CRY2 Q49AN0 1/20 0.39

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
SCHEMBL3830265 0.82 KCNN4 (0.47) FFAR1MAOBKCNN4KCNA5GSK3B
SCHEMBL3832721 0.82 FFAR1 (0.45) FFAR1MAOBKCNN4KCNA5GSK3B
SCHEMBL21456140 0.81 PDCD1 (0.50) KCNN4KCNA5GSK3BMEP1AMEP1B
SCHEMBL9779957 0.81 FFAR1 (0.50) FFAR1MAOBKCNN4KCNA5GSK3B
SCHEMBL5352835 0.80 MAOB (0.46) MAOBGSK3BKMT2ACA1CA2
SCHEMBL6982499 0.80 KCNN4 (0.54) FFAR1MAOBKCNN4KCNA5GSK3B
SCHEMBL14034729 0.78 KCNN4 (0.48) KCNN4KCNA5GSK3BPER2CRY1
SCHEMBL2384890 0.78 KCNN4 (0.45) FFAR1KCNN4KCNA5GSK3BMEP1A
SCHEMBL12574227 0.77 MAPK14 (0.46) FFAR1KCNN4KCNA5GSK3BMEP1A
SCHEMBL19334460 0.77 ALDH1A1 (0.47) KMT2ACA12CA1CA2CA9

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-20030166694-A1 Glycinamides MERCK PATENT GMBH (DE) 2003-09-04 US disclosed
CN-1268116-A 3-amidinoaniline derivatives activated blood coagulation factor X inhibitors, and intermediates for producing both KISSEI PHARMACEUTICAL (JP) 2000-09-27 CN disclosed
EP-1020434-A1 3-AMIDINOANILINE DERIVATIVES, ACTIVATED BLOOD COAGULATION FACTOR X INHIBITORS, AND INTERMEDIATES FOR PRODUCING BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2000-07-19 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-20030166694-A1 Glycinamides F11, SERPINC1, F13A1 FFAR1 906/4885MAOB 1287/4885KCNN4 4233/4885

“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.