SCHEMBL3529027

SCHEMBL3529027

Nc1c(CS(=O)(=O)c2ccccc2)cc(F)cc1OCCCl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
ALOX5AP P20292 1/20 0.38
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
ADRA1D P25100 3/20 0.32
HSD11B1 P28845 2/20 0.32
SPHK2 Q9NRA0 2/20 0.32
SPHK1 Q9NYA1 2/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
MPO P05164 1/20 0.32
HTT P42858 2/20 0.32
CYP1A2 P05177 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
SCHEMBL3531552 0.82 CYP1A2 (0.36) ALOX5APKMT2AMEN1MAPTMCOLN3
SCHEMBL3531354 0.82 CA1 (0.35) KMT2AMEN1ADRA1DADRA1AADRA1B
SCHEMBL3532416 0.81 HTT (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3529030 0.71 HTR1A (0.39) ADRA1DHSD11B1ADRA1AADRA1BHTR1A
SCHEMBL3534237 0.68 HTT (0.41) KMT2AMEN1MAPTADRA1DHSD11B1
SCHEMBL3531590 0.67 HTR6 (0.39) KMT2AMEN1CYP1A2CYP2C19HTR7
SCHEMBL4636438 0.67 ADRA1D (0.33) MAPTADRA1DADRA1AADRA1BHTT
SCHEMBL3534503 0.65 HTR1B (0.40) KMT2AMEN1
SCHEMBL3531555 0.63 HTR1A (0.39) KMT2AMEN1MAPTCYP1A2CYP2C19
SCHEMBL27850311 0.62 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A

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 PSEN1 310/4885PSEN2 380/4885APH1B 1966/4885

“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.