SCHEMBL8424745

SCHEMBL8424745

COC(=O)N(C)CCc1ccc(N=O)c(CS)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
ACHE P22303 7/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
ATM Q13315 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL8424746 0.82 ACHE (0.38) CDK8CLK4ACHEKMT2AMEN1
SCHEMBL8423792 0.81 CA12 (0.39) KMT2AATMLMNAALDH1A1GAA
SCHEMBL8423833 0.76 HRH3 (0.41) CDK8CLK4ACHELMNAMAPK1
SCHEMBL8424747 0.73 BACE1 (0.40) MAPTALDH1A1GAA
SCHEMBL8586151 0.69 CCR6 (0.42) CDK8CLK4ACHEKMT2ACYP3A4
SCHEMBL2018753 0.69 TAAR1 (0.55) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL2097870 0.69 NPY5R (0.56) KMT2A
SCHEMBL2016545 0.68 TAAR1 (0.59) ACHEKMT2ALMNAALDH1A1
SCHEMBL4323095 0.67 MMP3 (0.52) HRH3
SCHEMBL13544605 0.67 ALDH1A1 (0.42) KMT2ACYP3A4MAPTCYP1A2LMNA

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-7645752-B2 Sulfonyl substituted 1H-indoles as ligands for the 5-hydroxytryptamine receptors WYETH LLC (US) 2010-01-12 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 CDK8 3451/4885CLK4 4781/4885ACHE 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.