SCHEMBL2497224

SCHEMBL2497224

COc1cccc(OC(F)(F)F)c1.O=S(=O)(Cl)Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CHRM5 P08912 3/20 0.48
GRIN2B Q13224 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
DYRK1A Q13627 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
NFE2L2 Q16236 3/20 0.41
ACHE P22303 1/20 0.41
KAT6A Q92794 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL1526052 0.89 NPC1 (0.53) NPC1RAB9ACHRM5GRIN2BDYRK1A
1,3-Dimethoxybenzene SCHEMBL2179669 0.85 ACHE (0.54) NFE2L2ACHECES2CES1
SCHEMBL27361117 0.83 CHRM5 (0.49) CHRM5SLC22A12ACHEKAT6ACHRM2
SCHEMBL6343518 0.82 NPC1 (0.51) NPC1RAB9ACHRM5GRIN2BDYRK1A
SCHEMBL27383227 0.81 SLC22A12 (0.43) SLC22A12KAT6ACES1CHRM2CHRM1
SCHEMBL27647157 0.81 P2RX1 (0.48) GRIN2BSLC22A12KAT6A
SCHEMBL27528814 0.80 CHRM2 (0.51) CHRM5CHRM2CHRM1CHRM3
SCHEMBL27425788 0.80 MRGPRX4 (0.56) NPC1RAB9AKAT6A
SCHEMBL2494886 0.79 CES2 (0.44) NPC1RAB9ANFE2L2ACHECES2
SCHEMBL1410607 0.79 WDR5 (0.44) SLC22A12KAT6A

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 NPC1 990/4885RAB9A 649/4885CHRM5 4064/4885

“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.