SCHEMBL6975643

SCHEMBL6975643

COc1ccc(C(N)=O)c(C)c1N1CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 4/20 0.45
TGFBR1 P36897 3/20 0.45
NEK2 P51955 1/20 0.44
CCR4 P51679 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
HTR1D P28221 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
JAK2 O60674 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 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
SCHEMBL6971433 0.81 NEK2 (0.41) ACVR1TGFBR1NEK2NPC1POLB
SCHEMBL6972658 0.78 DRD2 (0.46) ACVR1TGFBR1CCR4POLBGAA
SCHEMBL28508531 0.77 KDM4E (0.42) ACVR1TGFBR1NEK2CCR4NPC1
SCHEMBL4703621 0.76 NEK2 (0.61) ACVR1TGFBR1NEK2NPC1POLB
SCHEMBL21590165 0.75 MAPT (0.47) ACVR1TGFBR1CCR4POLBSMN1; SMN2
SCHEMBL4766118 0.73 NNMT (0.49) POLBSMN1; SMN2GAAMAPTL3MBTL1
SCHEMBL4792072 0.72 NNMT (0.45) POLBSMN1; SMN2GAAMAPTL3MBTL1
SCHEMBL6974027 0.72 SIRT6 (0.61) POLBMAPTL3MBTL1MAPK1ALDH1A1
SCHEMBL17479571 0.71 MEN1 (0.44) ACVR1TGFBR1NPC1RAB9ASMN1; SMN2
SCHEMBL11594731 0.71 ALDH1A1 (0.43) POLBSMN1; SMN2MAPTL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946539-B1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 2003-08-13 EP claimed
US-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments SMITHKLINE BEECHAM P.L.C. 2003-04-10 US claimed
US-6423717-B1 NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-23 US claimed
CN-1246116-A Sulfonamide derivatives, process for their preparation and their use as medicaments SMITHKLINE BEECHAM PLC (GB) 2000-03-01 CN claimed
US-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments SMITHKLINE BEECHAM P.L.C. 2003-04-10 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 (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-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments TPMT, MPST, STS ACVR1 4567/4885TGFBR1 4834/4885NEK2 1789/4885

“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.