SCHEMBL6281981

SCHEMBL6281981

N=C(N)NN=C(c1cn(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc12)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFSF11 O14788 3/20 0.44
TNF P01375 2/20 0.42
HTR6 P50406 4/20 0.42
AKR1C3 P42330 4/20 0.39
AKR1C1 Q04828 2/20 0.39
EIF2AK3 Q9NZJ5 1/20 0.39
PLK1 P53350 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL6281979 1.00 TNFSF11 (0.44) TNFSF11TNFHTR6AKR1C3AKR1C1
SCHEMBL6281927 0.90 EIF2AK3 (0.36) TNFSF11TNFHTR6AKR1C3AKR1C1
SCHEMBL6281930 0.90 EIF2AK3 (0.36) TNFSF11TNFHTR6AKR1C3AKR1C1
SCHEMBL6284284 0.90 HTR6 (0.41) TNFSF11TNFHTR6AKR1C3AKR1C1
SCHEMBL6284287 0.90 HTR6 (0.41) TNFSF11TNFHTR6AKR1C3AKR1C1
SCHEMBL6286987 0.88 PLK1 (0.50) TNFSF11TNFHTR6AKR1C3AKR1C1
SCHEMBL6286993 0.88 PLK1 (0.50) TNFSF11TNFHTR6AKR1C3AKR1C1
SCHEMBL6281048 0.86 HTR6 (0.51) HTR6PLK1MEN1KMT2ALMNA
SCHEMBL6281043 0.86 HTR6 (0.51) HTR6PLK1MEN1KMT2ALMNA
SCHEMBL6285419 0.86 HTR6 (0.48) HTR6AKR1C3AKR1C1PLK1MEN1

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
US-6906095-B2 Indolylalkylidenehydrazine-carboximidamide derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-06-14 US claimed
US-20040002527-A1 Indolylalkylidenehydrazine-carboximidamide derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-01-01 US claimed
US-6906095-B2 Indolylalkylidenehydrazine-carboximidamide derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-06-14 US disclosed
US-20040002527-A1 Indolylalkylidenehydrazine-carboximidamide derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-01-01 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-20040002527-A1 Indolylalkylidenehydrazine-carboximidamide derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2A TNFSF11 1597/4885TNF 3395/4885HTR6 1/4885

“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.