SCHEMBL3535461

SCHEMBL3535461

O=S(=O)(c1cccc2ccccc12)c1nn(Cc2cccc(Cl)c2)c2c(OCCN3CCCC3)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.47
DRD2 P14416 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
LTA4H P09960 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 4/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 2/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL3531810 0.99 HTR6 (0.47) HTR6DRD2HTR2CHTR2BLTA4H
SCHEMBL3532678 0.96 HTR6 (0.47) HTR6DRD2HTR2CHTR2BTDP1
SCHEMBL3532453 0.90 LTA4H (0.44) HTR6DRD2LTA4HKDM4EALDH1A1
SCHEMBL3532779 0.89 HTR6 (0.45) HTR6DRD2HTR2CHTR2BLTA4H
SCHEMBL13342338 0.88 HTR6 (0.45) HTR6DRD2HTR2CHTR2BMEN1
SCHEMBL3532795 0.87 HTR6 (0.45) HTR6DRD2HTR2CHTR2BHTR2A
SCHEMBL3532484 0.86 HTR6 (0.44) HTR6DRD2HTR2CHTR2BKDM4E
SCHEMBL3529593 0.86 HTR6 (0.44) HTR6DRD2HTR2CHTR2BKDM4E
SCHEMBL3531961 0.85 HTR6 (0.56) HTR6DRD2HTR2CHTR2BLTA4H
SCHEMBL3532480 0.85 HTR6 (0.45) HTR6DRD2HTR2CHTR2BHTR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 HTR6 1/4885DRD2 117/4885HTR2C 7/4885

“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.