SCHEMBL19088526

SCHEMBL19088526

CCCCOC(=O)C(Cc1ccccc1)NC(CC)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.47
BIRC2 Q13490 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
ANPEP P15144 1/20 0.44
CTSL P07711 1/20 0.44
ACE P12821 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
MMP2 P08253 6/20 0.44
MMP1 P03956 2/20 0.44
MMP3 P08254 1/20 0.44

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
SCHEMBL19088391 0.93 POLB (0.48) TSHRALDH1A1POLBHDAC3HDAC4
SCHEMBL21578800 0.89 TSHR (0.48) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL19088387 0.87 MMP8 (0.55) POLBANPEPCTSL
SCHEMBL807262 0.86 TSHR (0.50) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL13634002 0.86 TSHR (0.50) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL27515952 0.84 POLB (0.54) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL9486892 0.83 TACR1 (0.61) TSHRALDH1A1POLBBIRC2
SCHEMBL9488064 0.83 TACR1 (0.61) TSHRALDH1A1POLBBIRC2
SCHEMBL7657099 0.82 TSHR (0.47) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL9488167 0.82 POLB (0.52) TSHRALDH1A1POLBBIRC2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-09-21 US disclosed
US-20230158053-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2023-05-25 US disclosed
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2023-04-27 US disclosed
US-20200352966-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2020-11-12 US disclosed
US-10696679-B2 Methods and compounds for treating paramyxoviridae virus infections GILEAD SCIENCES, INC. (US) 2020-06-30 US disclosed
US-10548913-B2 Nicotinamide mononucleotide derivatives and their uses METRO INTERNATIONAL BIOTECH, LLC (US) 2020-02-04 US disclosed
US-20190055251-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2019-02-21 US disclosed
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2018-05-31 US disclosed
US-RE46762-E1 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC (US) 2018-03-27 US disclosed
US-9919003-B2 Nicotinamide mononucleotide derivatives and their uses METRO INTERNATIONAL BIOTECH, LLC (US) 2018-03-20 US disclosed
US-20170290850-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METRO INTERNATIONAL BIOTECH, LLC 2017-10-12 US disclosed
US-20170226140-A1 2' FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-08-10 US disclosed
US-20170189434-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METRO INTERNATIONAL BIOTECH, LLC 2017-07-06 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 (11 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-20230158053-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 TSHR 3861/4885TDP1 2917/4885L3MBTL1 4500/4885
US-20170226140-A1 2' FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NUDT1, NSUN2 TSHR 1097/4885TDP1 185/4885L3MBTL1 856/4885
US-10696679-B2 Methods and compounds for treating paramyxoviridae virus infections PNP, RPIA, HPRT1 TSHR 3767/4885TDP1 298/4885L3MBTL1 1645/4885
US-20190055251-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 TSHR 3767/4885TDP1 298/4885L3MBTL1 1645/4885
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 TSHR 3861/4885TDP1 2917/4885L3MBTL1 4500/4885
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 TSHR 3767/4885TDP1 298/4885L3MBTL1 1645/4885
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NUDT15, NME4 TSHR 3809/4885TDP1 481/4885L3MBTL1 1350/4885
US-20200352966-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 TSHR 3861/4885TDP1 2917/4885L3MBTL1 4500/4885
US-10548913-B2 Nicotinamide mononucleotide derivatives and their uses NAMPT, NNT, NQO1 TSHR 3861/4885TDP1 2917/4885L3MBTL1 4500/4885
US-20170290850-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 TSHR 3861/4885TDP1 2917/4885L3MBTL1 4500/4885
US-20170189434-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 TSHR 3861/4885TDP1 2917/4885L3MBTL1 4500/4885

“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.