SCHEMBL6487436

SCHEMBL6487436

CC1(C)CC(=NNC(=N)N)c2c([nH]c3ccc(Cl)cc23)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.37
MAP2 P11137 9/20 0.36
BAZ2B Q9UIF8 2/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 2/20 0.34
THRB P10828 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAP3K14 Q99558 1/20 0.34
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
BUB1 O43683 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
SCHEMBL6487432 1.00 SIRT1 (0.37) SIRT1MAP2BAZ2BMAPTKDM4E
SCHEMBL6488069 0.88 ALDH1A1 (0.35) SIRT1BAZ2BMAPTKDM4EALDH1A1
SCHEMBL6500149 0.88 MAP2 (0.36) MAP2BAZ2BMAPTALDH1A1MEN1
SCHEMBL6500147 0.88 MAP2 (0.36) MAP2BAZ2BMAPTALDH1A1MEN1
SCHEMBL6488072 0.88 ALDH1A1 (0.35) SIRT1BAZ2BMAPTKDM4EALDH1A1
SCHEMBL6491882 0.87 SIRT1 (0.37) SIRT1BAZ2BMAPTKDM4EALDH1A1
SCHEMBL6491884 0.87 SIRT1 (0.37) SIRT1BAZ2BMAPTKDM4EALDH1A1
SCHEMBL6494583 0.86 MAPT (0.38) MAPTKDM4EALDH1A1GAANPSR1
SCHEMBL6494579 0.86 MAPT (0.38) MAPTKDM4EALDH1A1GAANPSR1
SCHEMBL6490196 0.82 BUB1 (0.37) MAPTKDM4EGAALMNATHRB

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 SIRT1 1181/4885MAP2 1097/4885BAZ2B 3444/4885

“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.