SCHEMBL3532185

SCHEMBL3532185

CNCCOc1ccc2c(cnn2S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.45
HTR1B P28222 2/20 0.43
HTR1D P28221 1/20 0.43
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40
CACNA1B Q00975 1/20 0.40

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
SCHEMBL3533707 0.89 HTR6 (0.40) HTR6POLBL3MBTL1HDAC8HDAC6
SCHEMBL3533173 0.88 OPRD1 (0.39) HTR6POLBL3MBTL1HDAC8HDAC6
SCHEMBL3536219 0.86 ALDH1A1 (0.42) HTR6PDE3BPDE3AP2RY12ALDH1A1
SCHEMBL3534825 0.85 MAOB (0.43) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL3534362 0.85 OPRD1 (0.39) HTR6POLBL3MBTL1HDAC8HDAC6
SCHEMBL3535203 0.85 FGFR1 (0.44) HTR6POLBL3MBTL1HDAC8HDAC6
SCHEMBL3536803 0.84 KDM4E (0.50) HTR6HTR1BHTR1DPOLBL3MBTL1
SCHEMBL3534708 0.83 HTR6 (0.45) HTR6LMNA
SCHEMBL3531385 0.82 CHRNB2 (0.42) HTR6POLBL3MBTL1PDE3BPDE3A
SCHEMBL3532479 0.81 HRH3 (0.49)

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 HTR6 1/4885HTR1B 6/4885HTR1D 12/4885

“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.