SCHEMBL6281930

SCHEMBL6281930

N=C(N)NN=C(c1cn(S(=O)(=O)c2ccc3ccccc3c2)c2cc(F)ccc12)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 1/20 0.36
HTR6 P50406 6/20 0.36
TNFSF11 O14788 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKR1C3 P42330 3/20 0.35
AKR1C1 Q04828 1/20 0.35
TNF P01375 2/20 0.35
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.33

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
SCHEMBL6281927 1.00 EIF2AK3 (0.36) EIF2AK3HTR6TNFSF11ALDH1A1MAPT
SCHEMBL6285605 0.90 HTR6 (0.42) HTR6TNFSF11ALDH1A1KMT2ALMNA
SCHEMBL6281981 0.90 TNFSF11 (0.44) EIF2AK3HTR6TNFSF11ALDH1A1KMT2A
SCHEMBL6285611 0.90 HTR6 (0.42) HTR6TNFSF11ALDH1A1KMT2ALMNA
SCHEMBL6281979 0.90 TNFSF11 (0.44) EIF2AK3HTR6TNFSF11ALDH1A1KMT2A
SCHEMBL6282001 0.86 HTR6 (0.42) HTR6KMT2AMEN1
SCHEMBL6281998 0.86 HTR6 (0.42) HTR6KMT2AMEN1
SCHEMBL6285018 0.86 HTR6 (0.38) HTR6TNFSF11ALDH1A1MAPTKMT2A
SCHEMBL6285015 0.86 HTR6 (0.38) HTR6TNFSF11ALDH1A1MAPTKMT2A
SCHEMBL6280989 0.86 HTR6 (0.44) HTR6SMN1; SMN2

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 EIF2AK3 1592/4885HTR6 1/4885TNFSF11 1597/4885

“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.