SCHEMBL6500356

SCHEMBL6500356

CN(N=C1CC(c2ccccc2)Cc2[nH]c3ccc(F)cc3c21)C1=NCCN1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.36
PARP2 Q9UGN5 1/20 0.36
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
PIM1 P11309 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
HPGD P15428 4/20 0.34
LMNA P02545 3/20 0.34
HSD17B10 Q99714 2/20 0.34
OPRM1 P35372 2/20 0.33
OGFRL1 Q5TC84 1/20 0.33
CSNK1G1 Q9HCP0 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CDK5 Q00535 2/20 0.32
CDK5R1 Q15078 2/20 0.32
HTT P42858 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TP53 P04637 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
SCHEMBL6489539 0.90 ALDH1A1 (0.40) PARP1PARP2PIM1CLK4HPGD
SCHEMBL6489930 0.88 HPGD (0.33) PARP1PARP2PIM1CLK4HPGD
SCHEMBL6496897 0.80 HTR2A (0.37) HTR2AHTR2CCDK5CDK5R1HTT
SCHEMBL6496901 0.80 HTR2A (0.37) HTR2AHTR2CCDK5CDK5R1HTT
SCHEMBL6500360 0.79 MAOA (0.37) PARP1PARP2HTR2AHTR2CPIM1
SCHEMBL6489545 0.70 KMT2A (0.40) HTR2AHTR2CPIM1CLK4HPGD
SCHEMBL6488757 0.70 MAP3K14 (0.40) HTR2AHTR2CHTTCSF1RHTR7
SCHEMBL6497443 0.70 MAP3K14 (0.40) HTR2AHTR2CHTTCSF1RHTR7
SCHEMBL6487310 0.69 ALDH1A1 (0.33) PARP1PARP2LMNAHTTALDH1A1
SCHEMBL6491123 0.69 PTGES (0.40) PARP1CLK4HPGDLMNAHSD17B10

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 PARP1 2971/4885PARP2 3855/4885HTR2A 5/4885

“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.