SCHEMBL5477445

SCHEMBL5477445

CC(C)(C)OC(=O)NCc1ccccc1-c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.56
CHRM3 P20309 2/20 0.56
KCNA5 P22460 1/20 0.51
HTR7 P34969 2/20 0.48
KDM4A O75164 1/20 0.44
CTSL P07711 1/20 0.44
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
IDO1 P14902 2/20 0.42
NQO2 P16083 1/20 0.41
HDAC1 Q13547 1/20 0.41
NAMPT P43490 1/20 0.41
ADAMTS4 O75173 1/20 0.41
ADAMTS5 Q9UNA0 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
SCHEMBL7710607 0.86 KCNA5 (0.52) CHRM1CHRM3KCNA5KDM4ABRD4
SCHEMBL25470419 0.85 KCNA5 (0.51) CHRM1CHRM3KCNA5KDM4ABRD4
SCHEMBL4060683 0.84 KCNA5 (0.50) CHRM1CHRM3KCNA5KDM4ABRD4
SCHEMBL31710569 0.84 KCNA5 (0.50) KCNA5KDM4ABRD4CREBBPHDAC1
SCHEMBL3416541 0.83 KCNA5 (0.49) KCNA5KDM4ABRD4CREBBPHDAC1
SCHEMBL3410533 0.81 KCNA5 (0.50) KCNA5KDM4ABRD4CREBBPNQO2
SCHEMBL12050574 0.79 KCNA5 (0.54) CHRM3KCNA5KDM4ANQO2HDAC1
SCHEMBL7791651 0.79 KCNA5 (0.54) KCNA5KDM4AIDO1HDAC1NAMPT
SCHEMBL3750932 0.79 KCNA5 (0.54) KCNA5HTR7KDM4AHDAC1
SCHEMBL30159605 0.78 KCNA5 (0.56) KCNA5KDM4AIDO1NQO2HDAC1

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-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
WO-2005040137-A1 AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-05-06 WO disclosed
EP-1526131-A1 Aminoalkyl-pyrazinones and -pyridones as thrombin inhibitors Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2005-04-27 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-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors F2, F12, SERPINC1 CHRM1 1019/4885CHRM3 1657/4885KCNA5 663/4885

“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.