SCHEMBL14183100

SCHEMBL14183100

Cc1ccc(C2CCOCC2)cc1NC(N)=S

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ SERPINE1 P05121 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTR1D P28221 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ ASH1L Q9NR48 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
SCHEMBL5044211 0.83 HTT (0.44) KDM4EALDH1A1HTTL3MBTL1SMN1; SMN2
SCHEMBL14183098 0.79 ALDH1A1 (0.61) GAAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL28757745 0.75 HDAC1 (0.46) GAAALDH1A1HTTL3MBTL1MEN1
SCHEMBL14183099 0.73 HTR1D (0.41) GAAMAPTHTR1D
SCHEMBL23927516 0.72 QDPR (0.45) HTR1DHDAC2
SCHEMBL14183095 0.72 TDP1 (0.41) ALDH1A1MAPTHTR1D
SCHEMBL3713654 0.71 HDAC1 (0.44) ALDH1A1HTTL3MBTL1MEN1KMT2A
SCHEMBL5528760 0.70 ALDH1A1 (0.68) GAAKDM4EALDH1A1HTTL3MBTL1
SCHEMBL32670809 0.70 ALDH1A1 (0.68) GAAKDM4EALDH1A1HTTL3MBTL1
SCHEMBL17374756 0.69 ALDH1A1 (0.41) ALDH1A1HTR1DHDAC3HDAC1HDAC2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108826-A1 PREPARATION OF 4-ALKOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YLAMINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-08 — — 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-20080108826-A1 PREPARATION OF 4-ALKOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YLAMINE DERIVATIVES HTR7, HTR4, BRD7 GAA 3536/4885KDM4E 214/4885ALDH1A1 869/4885

“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.

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