SCHEMBL6281786

SCHEMBL6281786

CCCCS(=O)(=O)n1cc(/C(=N\NC(=N)N)C2CC2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.43
KMT2A Q03164 2/20 0.36
HTR3A P46098 3/20 0.35
CA9 Q16790 1/20 0.35
NPC1 O15118 1/20 0.35
PLK1 P53350 1/20 0.33
MEN1 O00255 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6281788 1.00 HTR6 (0.43) HTR6KMT2AHTR3ACA9NPC1
SCHEMBL6285340 0.87 PTGDR2 (0.35) HTR6HTR3ANPC1CNR1CNR2
SCHEMBL6285344 0.87 PTGDR2 (0.35) HTR6HTR3ANPC1CNR1CNR2
SCHEMBL6282816 0.87 SLC6A9 (0.34) HTR6CNR1CNR2
SCHEMBL6282819 0.87 SLC6A9 (0.34) HTR6CNR1CNR2
SCHEMBL6285141 0.85 HTR6 (0.47) HTR6KMT2AHTR3ACA9PLK1
SCHEMBL6282343 0.85 HTR6 (0.47) HTR6KMT2AHTR3ACA9PLK1
SCHEMBL6282340 0.85 HTR6 (0.47) HTR6KMT2AHTR3ACA9PLK1
SCHEMBL6285147 0.85 HTR6 (0.47) HTR6KMT2AHTR3ACA9PLK1
SCHEMBL6282971 0.85 HTR3A (0.47) HTR6KMT2AHTR3APLK1MEN1

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 2 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 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 HTR6 1/4885KMT2A 2671/4885HTR3A 11/4885

“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.