SCHEMBL6502689

SCHEMBL6502689

N=C(N)N/N=C1\CCCc2[nH]c3ccccc3c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 1/20 0.43
KCNA5 P22460 2/20 0.39
KCNH2 Q12809 1/20 0.39
F2 P00734 1/20 0.39
HTR5A P47898 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
NR2E1 Q9Y466 1/20 0.38
RB1 P06400 2/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL6502691 1.00 KDM4E (0.43) KDM4EMAPTHPGDKCNA5KCNH2
SCHEMBL6488300 0.83 PTGES (0.43) KDM4EMAPTHPGDKCNA5KCNH2
SCHEMBL6488914 0.83 F2 (0.41) KDM4EMAPTF2ALDH1A1MEN1
SCHEMBL6488194 0.83 MAP3K14 (0.46) KDM4EMAPTKCNA5F2ALDH1A1
SCHEMBL6488296 0.83 PTGES (0.43) KDM4EMAPTHPGDKCNA5KCNH2
SCHEMBL6495460 0.83 MAPT (0.51) KDM4EMAPTF2ALDH1A1LMNA
SCHEMBL6495462 0.83 MAPT (0.51) KDM4EMAPTF2ALDH1A1LMNA
SCHEMBL6488907 0.83 F2 (0.41) KDM4EMAPTF2ALDH1A1MEN1
SCHEMBL6488195 0.83 MAP3K14 (0.46) KDM4EMAPTKCNA5F2ALDH1A1
SCHEMBL4281540 0.78 KDM4E (0.44) KDM4EMAPTHPGDHTR5ANISCH

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 KDM4E 3679/4885MAPT 1293/4885HPGD 1010/4885

“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.