SCHEMBL6487310

SCHEMBL6487310

Cc1ccc2[nH]c3c(c2c1)C(=NN(C)C1=NCCN1)CC(C)(C)C3

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 1/20 0.33
BUB1 O43683 2/20 0.32
ACHE P22303 1/20 0.31
KDM4E B2RXH2 3/20 0.31
LMNA P02545 2/20 0.30
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
PTGES O14684 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
SCHEMBL6487098 0.88 NISCH (0.32) ALDH1A1MAPTHTTBUB1KDM4E
SCHEMBL6487101 0.88 NISCH (0.32) ALDH1A1MAPTHTTBUB1KDM4E
SCHEMBL6491124 0.83 PTGES (0.40) ALDH1A1MAPTHTTACHEKDM4E
SCHEMBL6491123 0.83 PTGES (0.40) ALDH1A1MAPTHTTACHEKDM4E
SCHEMBL6489539 0.78 ALDH1A1 (0.40) ALDH1A1MAPTHTTKDM4ELMNA
SCHEMBL6487319 0.77 ADRA2A (0.41) ALDH1A1BUB1KDM4EPARP1PARP2
SCHEMBL6496897 0.74 HTR2A (0.37) ALDH1A1MAPTHTTACHE
SCHEMBL6496901 0.74 HTR2A (0.37) ALDH1A1MAPTHTTACHE
SCHEMBL6497443 0.74 MAP3K14 (0.40) ALDH1A1MAPTHTT
SCHEMBL6488757 0.74 MAP3K14 (0.40) ALDH1A1MAPTHTT

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 ALDH1A1 1019/4885MAPT 1293/4885HTT 424/4885

“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.