SCHEMBL8424746

SCHEMBL8424746

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CDK8 P49336 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
AOC3 Q16853 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ATM Q13315 1/20 0.34
GFER P55789 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL8424745 0.82 CDK8 (0.35) ACHEGAAMAPTALDH1A1HPGD
SCHEMBL3533820 0.80 CA12 (0.43) ACHEGAAALDH1A1KDM4EHPGD
SCHEMBL8586151 0.71 CCR6 (0.42) ACHEALDH1A1HPGDALOX15TSHR
SCHEMBL2018753 0.71 TAAR1 (0.55) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL2097870 0.70 NPY5R (0.56) KMT2AAOC3
SCHEMBL3534499 0.70 KCNH2 (0.53) GAAMAPTALDH1A1TSHRKMT2A
SCHEMBL2016545 0.70 TAAR1 (0.59) ACHEALDH1A1KDM4EKMT2ALMNA
SCHEMBL4323095 0.69 MMP3 (0.52)
SCHEMBL8423833 0.69 HRH3 (0.41) ACHEALDH1A1TSHRHSD17B10CDK8
SCHEMBL13544605 0.68 ALDH1A1 (0.42) MAPTALDH1A1KDM4ETSHRKMT2A

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 ACHE 175/4885GAA 3449/4885MAPT 797/4885

“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.