SCHEMBL6286249

SCHEMBL6286249

CC(=NNC(=N)N)c1cn(S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
GAA P10253 1/20 0.42
F2 P00734 3/20 0.42
PRSS1 P07477 3/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
HTR2A P28223 1/20 0.41
HTR6 P50406 1/20 0.41
MET P08581 2/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FABP4 P15090 2/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PLK1 P53350 1/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 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
SCHEMBL6286245 1.00 CA2 (0.44) CA2CA9GAAF2PRSS1
SCHEMBL6278578 0.85 LMNA (0.47) CA2CA9GAAHTR6LMNA
SCHEMBL6278577 0.85 LMNA (0.47) CA2CA9GAAHTR6LMNA
SCHEMBL6285359 0.85 POLB (0.42) GAALMNASMN1; SMN2FABP4MEN1
SCHEMBL6285367 0.85 POLB (0.42) GAALMNASMN1; SMN2FABP4MEN1
SCHEMBL6287562 0.85 HTR6 (0.46) CA2CA9F2PRSS1PRSS2
SCHEMBL6287560 0.85 HTR6 (0.46) CA2CA9F2PRSS1PRSS2
SCHEMBL6286328 0.84 HTR6 (0.48) HTR6LMNASMN1; SMN2FABP4MEN1
SCHEMBL6286325 0.84 HTR6 (0.48) HTR6LMNASMN1; SMN2FABP4MEN1
SCHEMBL6286906 0.81 LMNA (0.60) CA2CA9HTR6LMNASMN1; 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 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 CA2 2608/4885CA9 4840/4885GAA 3194/4885

“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.