SCHEMBL6277944

SCHEMBL6277944

CCCC/C(=N\NC(=N)N)c1cn(S(=O)(=O)c2ccc3ccccc3c2)c2cc(F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.39
CNR2 P34972 3/20 0.39
HTR6 P50406 10/20 0.39
TNFSF11 O14788 2/20 0.38
TNF P01375 2/20 0.38
TSHR P16473 1/20 0.37
HTR2A P28223 2/20 0.34
HTR7 P34969 2/20 0.34
MMP1 P03956 1/20 0.34
MMP7 P09237 1/20 0.34
ACE P12821 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
DRD2 P14416 1/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34

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
SCHEMBL6277945 1.00 CNR1 (0.39) CNR1CNR2HTR6TNFSF11TNF
SCHEMBL6285535 0.91 PLK1 (0.42) CNR1CNR2HTR6TNFSF11TNF
SCHEMBL6278766 0.91 TNFSF11 (0.46) CNR1CNR2HTR6TNFSF11TNF
SCHEMBL6285533 0.91 PLK1 (0.42) CNR1CNR2HTR6TNFSF11TNF
SCHEMBL6278768 0.91 TNFSF11 (0.46) CNR1CNR2HTR6TNFSF11TNF
SCHEMBL6287584 0.88 HTR6 (0.41) HTR6
SCHEMBL6287581 0.88 HTR6 (0.41) HTR6
SCHEMBL6284286 0.88 HTR6 (0.44) HTR6
SCHEMBL6284282 0.88 HTR6 (0.44) HTR6
SCHEMBL6285018 0.87 HTR6 (0.38) HTR6TNFSF11TNFTSHRHTR2A

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-6906095-B2 Indolylalkylidenehydrazine-carboximidamide derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-06-14 US disclosed
US-20040002527-A1 Indolylalkylidenehydrazine-carboximidamide derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-01-01 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-20040002527-A1 Indolylalkylidenehydrazine-carboximidamide derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2A CNR1 33/4885CNR2 28/4885HTR6 1/4885

“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.