SCHEMBL2498583

SCHEMBL2498583

COc1cccc(C)c1.O=S(=O)(Cl)Cl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.76
MAOB P27338 2/20 0.50
GAA P10253 2/20 0.49
FFAR4 Q5NUL3 1/20 0.49
HTT P42858 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
CES2 O00748 1/20 0.46

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
1,3-Dimethoxybenzene SCHEMBL2179669 0.87 ACHE (0.54) ACHEMAOBLMNAALDH1A1SMN1; SMN2
SCHEMBL29369744 0.87
SCHEMBL12353 0.87
SCHEMBL28273748 0.87 ACHE (1.00) ACHEMAOBGAALMNAALDH1A1
SCHEMBL27278237 0.85
Ammonia Solution, Strong SCHEMBL20593656 0.85 ACHE (0.95) ACHEMAOBGAALMNAALDH1A1
SCHEMBL27614069 0.85 ACHE (0.95) ACHEMAOBGAATDP1L3MBTL1
Bromide SCHEMBL28214466 0.85 ACHE (0.95) ACHEMAOBGAALMNAALDH1A1
Hydrochloric Acid SCHEMBL27778722 0.83 ACHE (0.91) ACHEMAOBGAALMNAALDH1A1
Anisole SCHEMBL28301167 0.81 ACHE (0.86) ACHEMAOBGAALMNAALDH1A1

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-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 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-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 ACHE 2436/4885MAOB 212/4885GAA 3124/4885

“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.