SCHEMBL6370869

SCHEMBL6370869

COc1c(F)cc([N+](=O)[O-])c(OC)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ATM Q13315 1/20 0.40
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39

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
SCHEMBL15863389 0.89 TPMT (0.45) TPMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25367899 0.84 MAPT (0.46) TPMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30184581 0.82 ALDH1A1 (0.46) TPMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29212464 0.82 ALDH1A1 (0.46) TPMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31421849 0.82 ALDH1A1 (0.44) TPMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30699658 0.81 GRIN2D (0.41) TPMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3292527 0.80 GPR35 (0.48) TPMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22595589 0.79 TPMT (0.43) TPMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30017403 0.79 TPMT (0.43) TPMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31751222 0.79 TPMT (0.54) TPMTALDH1A1TDP1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12123048-B2 Fluorinated 4′-alkylumbelliferyl a-D-glucopyranosides, biological sterilization indicators including the same and methods of using the same Solventum Intellectual Property Company (US) 2024-10-22 US disclosed
EP-3891163-B1 FLUORINATED 4' ALKYLUMBELLIFERYL ALPHA-D-GLUCOPYRANOSIDES, BIOLOGICAL STERILIZATION INDICATORS INCLUDING THE SAME AND METHODS OF USING THE SAME 3M INNOVATIVE PROPERTIES CO (US) 2022-05-18 EP disclosed
US-20220017939-A1 Fluorinated 4'-Alkylumbelliferyl a-D-Glucopyranosides, Biological Sterilization Indicators Including The Same And Methods Of Using The Same SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2022-01-20 US disclosed
CN-113166187-B Fluorinated 4' -alkyl umbelliferyl alpha-D-glucopyranosides, biological sterilization indicators comprising the same, and methods of use thereof 3M创新有限公司 2021-12-31 CN disclosed
EP-3891163-A1 FLUORINATED 4' ALKYLUMBELLIFERYL ?-D-GLUCOPYRANOSIDES, BIOLOGICAL STERILIZATION INDICATORS INCLUDING THE SAME AND METHODS OF USING THE SAME 3M Innovative Properties Company (US) 2021-10-13 EP disclosed
CN-113166187-A Fluorinated 4' -alkyl umbelliferyl alpha-D-glucopyranosides, biological sterilization indicators comprising the same, and methods of use thereof 3M创新有限公司 2021-07-23 CN disclosed
WO-2020115661-A1 FLUORINATED 4' ALKYLUMBELLIFERYL α-D-GLUCOPYRANOSIDES, BIOLOGICAL STERILIZATION INDICATORS INCLUDING THE SAME AND METHODS OF USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-06-11 WO disclosed
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2005-11-10 US disclosed
US-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-16 US disclosed
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-09 US disclosed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 WO disclosed
US-6229055-B1 SYNTHESIS OF FLUORINATED RESORCINOL WHICH IS USEFUL IN THE PREPARATION OF FLUORINATED FLUORESCEIN AND RHODOL DYES SUITABLE FOR USE AS TRACERS, LABELS, OR INTERMEDIATES MOLECULAR PROBES, INC. 2001-05-08 US disclosed
US-6162931-A Fluorinated xanthene derivatives MOLECULAR PROBES, INC. (US) 2000-12-19 US disclosed
US-5830912-A Derivatives of 6,8-difluoro-7-hydroxycoumarin MOLECULAR PROBES, INC. (US) 1998-11-03 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 (6 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-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 TPMT 1878/4885GRIN2D 871/4885GRIN3B 231/4885
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 TPMT 1878/4885GRIN2D 871/4885GRIN3B 231/4885
US-12123048-B2 Fluorinated 4′-alkylumbelliferyl a-D-glucopyranosides, biological sterilization indicators including the same and methods of using the same ALPG, UNG, GUSB TPMT 3228/4885GRIN2D 3250/4885GRIN3B 3748/4885
US-20220017939-A1 Fluorinated 4'-Alkylumbelliferyl a-D-Glucopyranosides, Biological Sterilization Indicators Including The Same And Methods Of Using The Same ALPG, UNG, GUSB TPMT 3209/4885GRIN2D 3261/4885GRIN3B 3742/4885
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 TPMT 1878/4885GRIN2D 871/4885GRIN3B 231/4885
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA7, CHRNA1, CHRNA5 TPMT 1509/4885GRIN2D 800/4885GRIN3B 158/4885

“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.