SCHEMBL3534757

SCHEMBL3534757

O=[N+]([O-])c1ccc(Br)cc1CS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HTT P42858 1/20 0.43
ACHE P22303 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
HPRT1 P00492 1/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
CA12 O43570 1/20 0.38
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL1814309 0.85 ALDH1A1 (0.43) ALDH1A1HTTCYP1A2CYP3A4CYP2D6
SCHEMBL4635823 0.84 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1POLBCA12
SCHEMBL3531827 0.83 ALDH1A1 (0.42) ALDH1A1HTTCYP1A2CYP3A4CYP2D6
SCHEMBL3529355 0.80 HTT (0.71) ALDH1A1HTTCYP1A2CYP3A4CYP2D6
SCHEMBL4635963 0.80 HTT (0.39) ALDH1A1HTTCYP1A2CYP3A4CYP2D6
SCHEMBL3535128 0.79 HTT (0.60) ALDH1A1HTTACHECYP1A2CYP3A4
SCHEMBL3538669 0.79 HTT (0.39) ALDH1A1HTTMAPK1KMT2AMEN1
SCHEMBL3531657 0.79 KMT2A (0.50) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL3530892 0.79 ALDH1A1 (0.42) ALDH1A1HTTMAPK1KMT2AMEN1
SCHEMBL3530887 0.79 ALDH1A1 (0.42) ALDH1A1HTTMAPK1KMT2AMEN1

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 ALDH1A1 690/4885HTT 465/4885ACHE 175/4885

“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.