SCHEMBL8424834

SCHEMBL8424834

NCCCCc1ccc2[nH]nc(S)c2c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HRH1 P35367 4/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAOA P21397 1/20 0.37
MPO P05164 3/20 0.35
AKT2 P31751 1/20 0.35
TLR8 Q9NR97 6/20 0.35

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
SCHEMBL8424760 0.95 CYP1A2 (0.41) HTR1AHTR1DHTR1BHRH1CYP1A2
SCHEMBL8424751 0.85 PDE3B (0.41) HTR1AHTR1DHTR1B
SCHEMBL8423849 0.83 PDE3B (0.41)
SCHEMBL8242120 0.82 HTR1A (0.44) HTR1AHTR1DHTR1BHRH1CYP1A2
SCHEMBL8424733 0.79 PARP1 (0.43) HTR1AHTR1DHTR1BMPO
SCHEMBL8239834 0.77 HTR1A (0.43) HTR1AHTR1DHTR1BHRH1CYP1A2
SCHEMBL8423782 0.76 HRH4 (0.36) HRH1CYP2D6
SCHEMBL8424226 0.76 MAPT (0.42) CYP1A2CYP2D6MPO
SCHEMBL8424448 0.76 ITK (0.44) HTR1AHTR1DHTR1BHRH1
SCHEMBL8426645 0.75 GRIN2B (0.39)

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-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 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-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders HTR6, TPH1, HTR1A HTR1A 3/4885HTR1D 12/4885HTR1B 6/4885

“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.