SCHEMBL4071386

SCHEMBL4071386

O=S(=O)(c1ccccc1)c1nn(C2CCN(Cc3ccccc3)C2)c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.66
HTR2A P28223 1/20 0.45
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCH P24723 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCD Q05655 1/20 0.42
CAMK2B Q13554 1/20 0.42
CAMK2G Q13555 1/20 0.42
CAMK2D Q13557 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
KMT2A Q03164 2/20 0.42
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM3 P20309 2/20 0.40

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
SCHEMBL4072125 0.94 HTR6 (0.67) HTR6HTR2ACHRM3
SCHEMBL4066105 0.93 HTR6 (0.64) HTR6HTR2AKMT2ARECQLSMN1; SMN2
SCHEMBL4074731 0.79 HTR6 (1.00) HTR6PRKCGPRKCBPRKCAPRKCH
SCHEMBL4074677 0.76 HTR6 (0.60) HTR6
SCHEMBL4074930 0.74 HTR6 (1.00) HTR6HTR2APRKCGPRKCBPRKCA
SCHEMBL4074283 0.74 HTR6 (0.62) HTR6
SCHEMBL4068728 0.73 HTR6 (1.00) HTR6PRKCGPRKCBPRKCAPRKCH
SCHEMBL4077992 0.67 HTR6 (0.60) HTR6
SCHEMBL2327650 0.67 DRD2 (0.57) HTR6RECQLSMN1; SMN2CHRM2CHRM3
SCHEMBL238565 0.67 DRD2 (0.57) HTR6RECQLSMN1; SMN2CHRM2CHRM3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589108-B2 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-15 US disclosed
US-20060030593-A1 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-02-09 US disclosed
US-6995176-B2 1-heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-02-07 US disclosed
US-20040024023-A1 1-Heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-02-05 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 (2 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-20060030593-A1 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3A, HTR5A HTR6 1/4885HTR2A 10/4885PRKCG 4384/4885
US-20040024023-A1 1-Heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3A, HTR1A HTR6 1/4885HTR2A 10/4885PRKCG 3850/4885

“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.