SCHEMBL8424751

SCHEMBL8424751

OCCCCc1ccc2[nH]nc(S)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
P2RY12 Q9H244 2/20 0.41
MAP2K4 P45985 2/20 0.38
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
GSK3B P49841 1/20 0.34
CA2 P00918 2/20 0.34
BCHE P06276 4/20 0.34
NTRK1 P04629 3/20 0.34
ACHE P22303 2/20 0.33
IGF1R P08069 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33

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
SCHEMBL8423849 0.95 PDE3B (0.41) PDE3BPDE3AP2RY12MAP2K4PRKAB2
SCHEMBL8424834 0.85 HTR1A (0.41) HTR1AHTR1DHTR1B
SCHEMBL8424760 0.83 CYP1A2 (0.41) MAP2K4NTRK1HTR1AHTR1DHTR1B
SCHEMBL8233740 0.82 MAP2K4 (0.43) PDE3BPDE3AP2RY12MAP2K4GSK3B
SCHEMBL8424733 0.79 PARP1 (0.43) NTRK1HTR1AHTR1DHTR1B
SCHEMBL8233736 0.77 MAP2K4 (0.44) PDE3BPDE3AP2RY12MAP2K4GSK3B
SCHEMBL8423782 0.76 HRH4 (0.36) MAP2K4GSK3BNTRK1
SCHEMBL8424448 0.76 ITK (0.44) NTRK1HTR1AHTR1DHTR1B
SCHEMBL8424226 0.76 MAPT (0.42) MAP2K4NTRK1ALOX15
SCHEMBL8426645 0.75 GRIN2B (0.39) GSK3B

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 PDE3B 949/4885PDE3A 627/4885P2RY12 522/4885

“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.