SCHEMBL8423751

SCHEMBL8423751

NCCc1cccc2c(S)n[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.42
SLC6A4 P31645 2/20 0.42
HTR2A P28223 5/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 8/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
CTSK P43235 1/20 0.39
HTR6 P50406 1/20 0.39
CYP2A13 Q16696 1/20 0.39
PMP22 Q01453 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
SCHEMBL8424790 0.79 KDM4E (0.43) MPOHTR2ASMN1; SMN2TAAR1CYP2D6
SCHEMBL8426598 0.79 HTR6 (0.43) SLC6A4HTR2ATAAR1HTR1DHTR1B
SCHEMBL8424748 0.74 ALDH1A1 (0.40) HTR2AMAPTSMN1; SMN2MAPK1
SCHEMBL3536066 0.72 SLC6A2 (0.47) MPOSLC6A4HTR2ATAAR1CYP1A2
Hydrochloric Acid SCHEMBL3538337 0.71 SLC6A2 (0.46) MPOSLC6A4HTR2AMAPTNPSR1
SCHEMBL13544609 0.70 HTR2A (0.46) MPOSLC6A4HTR2AMAPTNPSR1
SCHEMBL6563339 0.70 TAAR1 (0.54) MPOSLC6A4HTR2AMAPTNPSR1
SCHEMBL195190 0.67 MAPT (0.67) MPOSLC6A4HTR2AMAPTNPSR1
SCHEMBL30131116 0.67 MAPT (0.67) MPOSLC6A4HTR2AMAPTNPSR1
SCHEMBL24210661 0.64 CHEK1 (0.39) CHEK1FLT3PLK3

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 MPO 3578/4885SLC6A4 42/4885HTR2A 11/4885

“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.