SCHEMBL2494886

SCHEMBL2494886

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MTNR1A P48039 6/20 0.44
MTNR1B P49286 6/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 3/20 0.44
DRD1 P21728 1/20 0.43
PARP1 P09874 1/20 0.42
STS P08842 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
NFE2L2 Q16236 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SENP8 Q96LD8 1/20 0.41

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
SCHEMBL2496416 0.89 ACHE (0.50) CES2CES1MTNR1AMTNR1BMAPT
1,3-Dimethoxybenzene SCHEMBL2179669 0.85 ACHE (0.54) CES2CES1SMN1; SMN2LMNAPARP1
SCHEMBL27298212 0.83 LMNA (0.47) MAPTMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL2497224 0.79 NPC1 (0.49) CES2CES1RAB9ANPC1NFE2L2
SCHEMBL1134331 0.77 TRPV4 (0.43) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL113409 0.77 DRD1 (0.44) MAPTMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL7466621 0.75 KMT2A (0.51) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL4112724 0.74 TP53 (0.70) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL2498583 0.74 ACHE (0.76) CES2CES1MAPTMEN1KMT2A
SCHEMBL11152041 0.74 NFE2L2 (0.53) CES2CES1SMN1; SMN2LMNAPARP1

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 CES2 3531/4885CES1 3264/4885MTNR1A 610/4885

“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.