SCHEMBL3532330

SCHEMBL3532330

O=S(=O)(c1cccc2ccccc12)c1n[nH]c2ccc(CCCO)cc12

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.45
AKR1B1 P15121 1/20 0.41
HTR2B P41595 4/20 0.38
HTR2C P28335 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL3530149 0.97 HTR6 (0.44) HTR6AKR1B1HTR2BHTR2CCYP1A2
SCHEMBL3529481 0.89 HTR6 (0.52) HTR6AKR1B1HTR2BHTR2CCYP1A2
SCHEMBL3533814 0.88 HTR6 (0.51) HTR6AKR1B1HTR2BHTR2CCYP1A2
Hydrochloric Acid SCHEMBL3531679 0.87 HTR6 (0.52) HTR6HTR2BHTR2CCYP1A2CYP2C19
SCHEMBL3536756 0.86 HTR6 (0.53) HTR6AKR1B1HTR2C
SCHEMBL3531711 0.86 HTR6 (0.47) HTR6AKR1B1HTR2B
SCHEMBL3533673 0.86 HTR6 (0.45) HTR6HTR2BHTR2CCYP2D6
Hydrochloric Acid SCHEMBL3531180 0.85 HTR6 (0.54) HTR6AKR1B1HTR2BHTR2C
SCHEMBL3532123 0.85 HTR6 (0.52) HTR6AKR1B1HTR2C
SCHEMBL3531411 0.85 HTR6 (0.44) HTR6AKR1B1HTR2BHTR2CCYP2D6

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-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
EP-1931640-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 WO 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 HTR6 1/4885AKR1B1 811/4885HTR2B 22/4885

“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.