SCHEMBL6487101

SCHEMBL6487101

CC(C)c1ccc2[nH]c3c(c2c1)C(=NN(C)C1=NCCN1)CC(C)(C)C3

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.32
BUB1 O43683 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
KDM4E B2RXH2 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 1.00 NISCH (0.32) NISCHBUB1MAPTALDH1A1HTT
SCHEMBL6487310 0.88 ALDH1A1 (0.33) BUB1MAPTALDH1A1HTTKDM4E
SCHEMBL6486879 0.84 MAPT (0.38) NISCHMAPTALDH1A1HTTADRA2A
SCHEMBL6489930 0.79 HPGD (0.33) ALDH1A1HTTADRA2AADRA2BADRA2C
SCHEMBL6489927 0.79 HPGD (0.33) ALDH1A1HTTADRA2AADRA2BADRA2C
SCHEMBL6487105 0.78 HTR1D (0.38) NISCHBUB1MAPTADRA2AADRA2B
SCHEMBL6496897 0.73 HTR2A (0.37) NISCHMAPTALDH1A1HTT
SCHEMBL6496901 0.73 HTR2A (0.37) NISCHMAPTALDH1A1HTT
SCHEMBL6497443 0.72 MAP3K14 (0.40) MAPTALDH1A1HTTHTR1B
SCHEMBL6488757 0.72 MAP3K14 (0.40) MAPTALDH1A1HTTHTR1B

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 NISCH 1057/4885BUB1 2706/4885MAPT 1293/4885

“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.