SCHEMBL6287581

SCHEMBL6287581

CCCC/C(=N\NC(=N)N)c1cn(S(=O)(=O)c2ccc(OC)cc2)c2cc(F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.41
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL6287584 1.00 HTR6 (0.41) HTR6CYP3A4CYP2D6PPARGPPARD
SCHEMBL6284286 0.91 HTR6 (0.44) HTR6HDAC1HDAC2HDAC11HDAC8
SCHEMBL6284282 0.91 HTR6 (0.44) HTR6HDAC1HDAC2HDAC11HDAC8
SCHEMBL6285535 0.91 PLK1 (0.42) HTR6PTGDRPTGDR2
SCHEMBL6285533 0.91 PLK1 (0.42) HTR6PTGDRPTGDR2
SCHEMBL6286252 0.89 HTR6 (0.50) HTR6PPARGPPARDPPARA
SCHEMBL6286257 0.89 HTR6 (0.50) HTR6PPARGPPARDPPARA
SCHEMBL6277944 0.88 CNR1 (0.39) HTR6
SCHEMBL6277945 0.88 CNR1 (0.39) HTR6
SCHEMBL6285167 0.86 HTR6 (0.42) HTR6CYP3A4CYP2D6PPARGPPARD

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 HTR6 1/4885CYP3A4 1789/4885CYP2D6 333/4885

“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.