SCHEMBL6491124

SCHEMBL6491124

Cc1ccc2[nH]c3c(c2c1)C(=NN(C)C1=NCCN1)CCC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.40
ALDH1A1 P00352 5/20 0.38
LMNA P02545 5/20 0.38
MAPT P10636 5/20 0.38
KDM4E B2RXH2 4/20 0.38
PARP1 P09874 1/20 0.35
KDR P35968 1/20 0.35
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
PKM P14618 1/20 0.32
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
MPI P34949 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK10 P53779 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6491123 1.00 PTGES (0.40) PTGESALDH1A1LMNAMAPTKDM4E
SCHEMBL6496901 0.88 HTR2A (0.37) ALDH1A1MAPTKDRHTTACHE
SCHEMBL6489655 0.88 MAP3K14 (0.42) ALDH1A1LMNAMAPTKDM4EPARP1
SCHEMBL6496897 0.88 HTR2A (0.37) ALDH1A1MAPTKDRHTTACHE
SCHEMBL6488217 0.88 MAPT (0.43) ALDH1A1LMNAMAPTKDM4EPARP1
SCHEMBL6488213 0.88 MAPT (0.43) ALDH1A1LMNAMAPTKDM4EPARP1
SCHEMBL6489651 0.88 MAP3K14 (0.42) ALDH1A1LMNAMAPTKDM4EPARP1
SCHEMBL6486879 0.88 MAPT (0.38) ALDH1A1MAPTKDM4EKDRHTT
SCHEMBL6487310 0.83 ALDH1A1 (0.33) PTGESALDH1A1LMNAMAPTKDM4E
SCHEMBL6497443 0.82 MAP3K14 (0.40) ALDH1A1MAPTHTTMEN1KMT2A

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 PTGES 933/4885ALDH1A1 1019/4885LMNA 4083/4885

“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.