SCHEMBL7028080

SCHEMBL7028080

CN(C)CCNS(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.71
NPSR1 Q6W5P4 1/20 0.71
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
CA12 O43570 1/20 0.59
ALOX15 P16050 1/20 0.58
ALDH1A1 P00352 4/20 0.51
SIGMAR1 Q99720 2/20 0.51
NAMPT P43490 1/20 0.51
CDK1 P06493 1/20 0.50
CDK2 P24941 1/20 0.50
IKBKB O14920 1/20 0.49
CHUK O15111 1/20 0.49
NEK1 Q96PY6 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MAPK1 P28482 1/20 0.48
GFER P55789 1/20 0.48
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46

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
SCHEMBL1348425 0.84 TSHR (0.73) TSHRNPSR1CA2CA9CA12
SCHEMBL6130639 0.84 CA12 (0.81) TSHRNPSR1CA2CA9CA12
SCHEMBL3327488 0.83 TSHR (0.71) TSHRNPSR1CA2CA9CA12
SCHEMBL4065569 0.83 TSHR (0.71) TSHRNPSR1CA2CA9CA12
SCHEMBL19152453 0.83 TSHR (0.71) TSHRNPSR1CA2CA9CA12
SCHEMBL19563408 0.83 SIGMAR1 (0.71) TSHRNPSR1CA2CA9CA12
SCHEMBL3143577 0.82 NPSR1 (0.70) TSHRNPSR1CA2CA9CA12
SCHEMBL20982132 0.82 TSHR (0.65) TSHRNPSR1CA2CA9CA12
SCHEMBL15754748 0.82 TSHR (0.65) TSHRNPSR1CA2CA9CA12
SCHEMBL11539772 0.82 TSHR (0.65) TSHRNPSR1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322602-A1 SUBSTITUTED CINNAMIC ACID GUANIDIDES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS A MEDICAMENT, AND TO A MEDICAMENT CONTAINING THESE COMPOUNDS Aventis Pharma Deutschland GmbH (DE) 2003-07-02 EP disclosed
US-6399824-B1 FOR THERAPY AND PROPHYLAXIS OF ARRHYTHMIAS, CARDIAC INFRACTION, ISCHEMIC CONDITIONS, ANGINA PECTORIS, SHOCK, FOR PRESERVING AND STORING A TRANSPLANT FOR SURGICAL MEASURE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-04 US disclosed
US-20020058710-A1 SUBSTITUTED CINNAMIC, ACID GUANIDIDES, PROCESS FOR THEIR PREPARATION, THEIR USE AS A MEDICAMENT, AND MEDICAMENT COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH. 2002-05-16 US disclosed
WO-2002024637-A1 SUBSTITUTED CINNAMIC ACID GUANIDIDES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS A MEDICAMENT, AND TO A MEDICAMENT CONTAINING THESE COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-03-28 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-20020058710-A1 SUBSTITUTED CINNAMIC, ACID GUANIDIDES, PROCESS FOR THEIR PREPARATION, THEIR USE AS A MEDICAMENT, AND MEDICAMENT COMPRISING THEM GANC, GMPS, GCDH TSHR 4640/4885NPSR1 3516/4885CA2 608/4885

“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.