SCHEMBL6494579

SCHEMBL6494579

CC(C)c1ccc2[nH]c3c(c2c1)/C(=N/NC(=N)N)CC(C)(C)C3

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BUB1 O43683 3/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
UBE2N P61088 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
F2 P00734 1/20 0.31
PIKFYVE Q9Y2I7 1/20 0.31
KIF11 P52732 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6494583 1.00 MAPT (0.38) MAPTNPSR1BUB1HTTALDH1A1
SCHEMBL6500149 0.87 MAP2 (0.36) MAPTBUB1ALDH1A1F2MEN1
SCHEMBL6488069 0.87 ALDH1A1 (0.35) MAPTBUB1HTTALDH1A1L3MBTL1
SCHEMBL6488072 0.87 ALDH1A1 (0.35) MAPTBUB1HTTALDH1A1L3MBTL1
SCHEMBL6500147 0.87 MAP2 (0.36) MAPTBUB1ALDH1A1F2MEN1
SCHEMBL6487432 0.86 SIRT1 (0.37) MAPTNPSR1BUB1ALDH1A1LMNA
SCHEMBL6487436 0.86 SIRT1 (0.37) MAPTNPSR1BUB1ALDH1A1LMNA
SCHEMBL6491884 0.86 SIRT1 (0.37) MAPTNPSR1HTTALDH1A1L3MBTL1
SCHEMBL6491882 0.86 SIRT1 (0.37) MAPTNPSR1HTTALDH1A1L3MBTL1
SCHEMBL6490196 0.81 BUB1 (0.37) MAPTBUB1LMNAKDM4EGAA

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-6951881-B2 (1-substituted-indol-3-yl) alkylidenehydrazinecarboximidamide derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-10-04 US disclosed
US-20030232843-A1 (1-Substituted-indol-3-yl) alkylidenehydrazinecarboximidamide derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2003-12-18 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-20030232843-A1 (1-Substituted-indol-3-yl) alkylidenehydrazinecarboximidamide derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A MAPT 1293/4885NPSR1 36/4885BUB1 2706/4885

“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.