SCHEMBL6487430

SCHEMBL6487430

N=C(N)NN=C1CC(c2ccccc2)Cc2[nH]c3ccc(Br)cc3c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
PIM1 P11309 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
PAX8 Q06710 1/20 0.36
POLB P06746 2/20 0.34
HTT P42858 1/20 0.34
CYP2D6 P10635 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
KCNH2 Q12809 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
SCHEMBL6487428 1.00 MAPT (0.40) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL6500243 0.88 PIM1 (0.47) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL6492163 0.88 ALDH1A1 (0.42) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL6492165 0.88 ALDH1A1 (0.42) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL6500241 0.88 PIM1 (0.47) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL7128314 0.86 MAPT (0.35) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL6495347 0.86 MAPT (0.35) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL6495462 0.78 MAPT (0.51) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL6495460 0.78 MAPT (0.51) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL6491884 0.75 SIRT1 (0.37) MAPTLMNAALDH1A1KDM4EGAA

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 MAPT 1293/4885LMNA 4083/4885ALDH1A1 1019/4885

“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.