SCHEMBL566659

SCHEMBL566659

CS(=O)(=O)OC[C@H]1COc2ccc([N+](=O)[O-])cc2O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CHRNB4 P30926 4/20 0.47
CHRNA3 P32297 4/20 0.47
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
MAPT P10636 5/20 0.42
LMNA P02545 3/20 0.42
PKM P14618 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR6 P50406 1/20 0.41
CA2 P00918 2/20 0.40
FFAR1 O14842 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL3029345 0.86 PRMT5 (0.51) MEN1KMT2ACHRNB4CHRNA3PRMT5
SCHEMBL3022285 0.86 PRMT5 (0.51) MEN1KMT2ACHRNB4CHRNA3PRMT5
SCHEMBL5937089 0.85 CHRNB4 (0.51) MEN1KMT2ACHRNB4CHRNA3PRMT5
SCHEMBL5937048 0.83 CHRNB4 (0.49) MEN1KMT2ACHRNB4CHRNA3PRMT5
SCHEMBL7780444 0.82 PRMT5 (0.51) MEN1KMT2ACHRNB4CHRNA3PRMT5
SCHEMBL567448 0.80 CA2 (0.52) L3MBTL1HTR6CA2FFAR1
SCHEMBL5937030 0.80 CHRNB4 (0.51) MEN1KMT2ACHRNB4CHRNA3PRMT5
SCHEMBL9375647 0.80 CA2 (0.58) CA2FFAR1
SCHEMBL5937108 0.79 MEN1 (0.46) MEN1KMT2ACHRNB4CHRNA3PRMT5
SCHEMBL1168351 0.79 CHRNB4 (0.50) MEN1KMT2ACHRNB4CHRNA3PRMT5

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-20120035210-A9 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES ORION CORPORATION (FI) 2012-02-09 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-20120035210-A9 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES PMP22, NPY2R, ADRA2C MEN1 2847/4885KMT2A 1968/4885CHRNB4 14/4885

“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.