SCHEMBL8424747

SCHEMBL8424747

O=Nc1ccc(CCO)cc1CS

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX5 P09917 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CA2 P00918 2/20 0.35
CYP4F2 P78329 3/20 0.33
CYP4A11 Q02928 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL16606344 0.77 KDM4E (0.59) BACE1KDM4EALDH1A1ALOX5GAA
SCHEMBL8424745 0.73 CDK8 (0.35) ALDH1A1GAAMAPT
SCHEMBL23153670 0.71 TAAR1 (0.44) KDM4EALDH1A1ALOX5CA2CYP4F2
SCHEMBL13368531 0.71 PTGDR2 (0.31) ALDH1A1CA2CA12CA9
SCHEMBL63352 0.66 BACE1 (0.54) BACE1KDM4EALDH1A1ALOX5GAA
SCHEMBL22602778 0.66 TDP1 (0.39) KDM4EALDH1A1MAPTCYP4F2CYP4A11
SCHEMBL22408786 0.66 CA2 (0.59) BACE1KDM4EALDH1A1ALOX5GAA
SCHEMBL26801174 0.65 CA2 (0.52) BACE1KDM4EALDH1A1ALOX5GAA
SCHEMBL5871273 0.65 KDM4E (0.52) BACE1KDM4EALDH1A1ALOX5GAA
SCHEMBL13544600 0.65 IDO1 (0.44)

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 BACE1 1207/4885KDM4E 3348/4885ALDH1A1 690/4885

“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.