SCHEMBL8424760

SCHEMBL8424760

NCCCc1ccc2[nH]nc(S)c2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR1A P08908 3/20 0.40
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
AKT2 P31751 1/20 0.39
CYP2A6 P11509 1/20 0.37
NTRK1 P04629 3/20 0.35
MPO P05164 1/20 0.34
JAK2 O60674 2/20 0.33
PDPK1 O15530 1/20 0.33
MAP2K4 P45985 1/20 0.33
HRH1 P35367 2/20 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
SCHEMBL8424834 0.95 HTR1A (0.41) CYP1A2CYP2D6CYP2C19HTR1AHTR1D
SCHEMBL8423849 0.84 PDE3B (0.41) NTRK1MAP2K4
SCHEMBL8424751 0.83 PDE3B (0.41) HTR1AHTR1DHTR1BNTRK1MAP2K4
SCHEMBL8239834 0.81 HTR1A (0.43) CYP1A2CYP2D6CYP2C19HTR1AHTR1D
SCHEMBL8424733 0.81 PARP1 (0.43) HTR1AHTR1DHTR1BNTRK1MPO
SCHEMBL8423782 0.77 HRH4 (0.36) CYP2D6NTRK1MAP2K4HRH1
SCHEMBL8424226 0.77 MAPT (0.42) CYP1A2CYP2D6NTRK1MPOMAP2K4
SCHEMBL8424448 0.77 ITK (0.44) HTR1AHTR1DHTR1BNTRK1HRH1
SCHEMBL8242120 0.77 HTR1A (0.44) CYP1A2CYP2D6CYP2C19HTR1AHTR1D
SCHEMBL8426645 0.76 GRIN2B (0.39) JAK2

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 CYP1A2 346/4885CYP2D6 97/4885CYP2C19 537/4885

“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.