SCHEMBL6500360

SCHEMBL6500360

Fc1ccc2[nH]c3c(c2c1)C(=NNCC1=NCCN1)CC(c1ccccc1)C3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
NISCH Q9Y2I1 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
CDK5 Q00535 3/20 0.36
CDK5R1 Q15078 3/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 2/20 0.36
PIM1 P11309 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
ADRA2A P08913 5/20 0.35
ADRA1D P25100 5/20 0.35
ADRA1A P35348 5/20 0.35
ADRA1B P35368 4/20 0.35
ADRA2C P18825 4/20 0.35
ADRA2B P18089 3/20 0.35
CSNK1G1 Q9HCP0 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
PADI4 Q9UM07 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
SCHEMBL6489545 0.90 KMT2A (0.40) MAOAMAOBNISCHHTR2AHTR2C
SCHEMBL6489941 0.88 NISCH (0.36) MAOAMAOBNISCHPIM1CLK4
SCHEMBL6496909 0.81 CDK5 (0.40) MAOAMAOBNISCHCDK5CDK5R1
SCHEMBL6500356 0.79 PARP1 (0.36) PARP1PARP2CDK5CDK5R1HTR2A
SCHEMBL6488762 0.71 ADRA2C (0.40) MAOAMAOBNISCHCDK5CDK5R1
SCHEMBL6487319 0.70 ADRA2A (0.41) MAOAMAOBNISCHPARP1PARP2
SCHEMBL6488223 0.69 MAPT (0.42) MAOAMAOBNISCHPARP1HTR2A
SCHEMBL6489663 0.69 MAP3K14 (0.41) MAOAMAOBNISCHPARP1CDK5
SCHEMBL6491133 0.69 ADRA2C (0.42) MAOAMAOBNISCHPARP1ADRA2A
SCHEMBL6489539 0.69 ALDH1A1 (0.40) PARP1PARP2PIM1CLK4

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 MAOA 133/4885MAOB 163/4885NISCH 1057/4885

“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.