SCHEMBL3402467

SCHEMBL3402467

Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)OP(=O)(O)O)c2cc1C

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.86
NR3C1 P04150 1/20 0.86
ADRB2 P07550 1/20 0.86
HTR2C P28335 1/20 0.86
ADRA1A P35348 1/20 0.86
PTGS2 P35354 1/20 0.86
TST Q16762 2/20 0.78
HSPD1 P10809 1/20 0.78
HSPE1 P61604 1/20 0.78
MEN1 O00255 7/20 0.69
KMT2A Q03164 7/20 0.69
USP2 O75604 4/20 0.69
HTT P42858 4/20 0.69
HAT1 O14929 4/20 0.69
RBBP7 Q16576 4/20 0.69
KDM4E B2RXH2 3/20 0.69
RECQL P46063 3/20 0.69
CASP7 P55210 3/20 0.69
MAPT P10636 3/20 0.69
CASP1 P29466 2/20 0.69

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
Riboflavin 5'-Phosphate SCHEMBL1532396 0.93 ESR1 (1.00) ESR1NR3C1ADRB2HTR2CADRA1A
Riboflavin 5'-Phosphate SCHEMBL190079 0.93 ESR1 (1.00) ESR1NR3C1ADRB2HTR2CADRA1A
Riboflavin 5'-Phosphate SCHEMBL297863 0.93 ESR1 (1.00) ESR1NR3C1ADRB2HTR2CADRA1A
Riboflavin 5'-Phosphate SCHEMBL41133 0.93 ESR1 (1.00) ESR1NR3C1ADRB2HTR2CADRA1A
Riboflavin 5'-Phosphate SCHEMBL6681480 0.92 ESR1 (0.98) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL19864293 0.90 ESR1 (0.88) ESR1NR3C1ADRB2HTR2CADRA1A
SCHEMBL11995383 0.90 ESR1 (0.88) ESR1NR3C1ADRB2HTR2CADRA1A
Riboflavin 5'-Phosphate SCHEMBL29592831 0.90 ESR1 (0.93) ESR1NR3C1ADRB2HTR2CADRA1A
Riboflavin SCHEMBL27499698 0.90 MEN1 (0.81) ESR1NR3C1ADRB2HTR2CADRA1A
Riboflavin 5'-Phosphate SCHEMBL26122 0.89 TST (0.98) ESR1NR3C1ADRB2HTR2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11529342-B2 Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2022-12-20 US disclosed
US-20190151301-A1 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2019-05-23 US disclosed
US-10149845-B2 Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2018-12-11 US disclosed
US-10039730-B2 Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2018-08-07 US disclosed
US-20170189358-A1 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2017-07-06 US disclosed
US-20170181989-A1 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2017-06-29 US disclosed
US-9675604-B2 Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2017-06-13 US disclosed
US-9649304-B2 Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2017-05-16 US disclosed
US-20150099015-A1 Sorbic and Benzoic Acid and Derivatives Thereof Enhance the Activity of a Neuropharmaceutical LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER 2015-04-09 US disclosed
US-20100189818-A1 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2010-07-29 US disclosed
US-20090186358-A1 Pathway Analysis of Cell Culture Phenotypes and Uses Thereof WYETH (US) 2009-07-23 US disclosed
US-20030185754-A1 Treatment of CNS disorders using D-amino acid oxidase and D-aspartate oxidase antagonists GENSET, S.A. (FR) 2003-10-02 US disclosed
US-20030166554-A1 Treatment of CNS disorders using D-amino acid oxidase and D-aspartate oxidase antagonists GENSET, S.A. (FR) 2003-09-04 US disclosed
WO-2003047558-A2 TREATMENT OF CNS DISORDERS USING D-AMINO ACID OXIDASE AND D-ASPARTATE OXIDASE INHIBITORS GENSET S.A. (FR) 2003-06-12 WO 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 (2 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-20030185754-A1 Treatment of CNS disorders using D-amino acid oxidase and D-aspartate oxidase antagonists DDO, DAO, XDH ESR1 3392/4885NR3C1 1726/4885ADRB2 1040/4885
US-20030166554-A1 Treatment of CNS disorders using D-amino acid oxidase and D-aspartate oxidase antagonists DDO, DAO, XDH ESR1 3392/4885NR3C1 1726/4885ADRB2 1040/4885

“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.