SCHEMBL6489545

SCHEMBL6489545

Cc1ccc2[nH]c3c(c2c1)C(=NNCC1=NCCN1)CC(c1ccccc1)C3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 5/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
ADRA1D P25100 5/20 0.38
ADRA1A P35348 5/20 0.38
ADRA1B P35368 5/20 0.38
ADRA2C P18825 4/20 0.38
ADRA2A P08913 4/20 0.38
ADRA2B P18089 3/20 0.38
NISCH Q9Y2I1 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
RB1 P06400 1/20 0.36
PIM1 P11309 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL6489941 0.90 NISCH (0.36) KMT2AALDH1A1LMNAADRA1DADRA1A
SCHEMBL6500360 0.90 MAOA (0.37) ADRA1DADRA1AADRA1BADRA2CADRA2A
SCHEMBL6491133 0.81 ADRA2C (0.42) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL6489539 0.79 ALDH1A1 (0.40) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL6487319 0.79 ADRA2A (0.41) ALDH1A1ADRA1DADRA1AADRA1BADRA2C
SCHEMBL6492165 0.75 ALDH1A1 (0.42) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL6492163 0.75 ALDH1A1 (0.42) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL6488762 0.71 ADRA2C (0.40) KMT2AMAPTADRA1DADRA1AADRA1B
SCHEMBL6486887 0.70 MAPT (0.41) MAPTADRA1DADRA1AADRA1BADRA2C
SCHEMBL6500356 0.70 PARP1 (0.36) ALDH1A1LMNAHTTADRA2CADRA2A

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 KMT2A 2933/4885ALDH1A1 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.