SCHEMBL10240652

SCHEMBL10240652

CC(C)C(=O)C(N)Cc1c[nH]cn1

nearest known ligand 0.31

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
SLC7A5 Q01650 1/20 0.31
HRH4 Q9H3N8 3/20 0.31
HRH3 Q9Y5N1 3/20 0.31
CYP1A2 P05177 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
KMT2A Q03164 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
NOS2 P35228 1/20 0.30
LMNA P02545 1/20 0.30
APEX1 P27695 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL12825056 1.00 CYP3A4 (0.31) CYP3A4SLC7A5HRH4HRH3CYP1A2
SCHEMBL12825059 1.00 CYP3A4 (0.31) CYP3A4SLC7A5HRH4HRH3CYP1A2
SCHEMBL25586209 0.86
SCHEMBL18819943 0.86
SCHEMBL4170559 0.85 CYP3A4 (0.32) CYP3A4SLC7A5CYP1A2
SCHEMBL23897440 0.84 NOS2 (0.32) NOS2
SCHEMBL18868737 0.84 NOS2 (0.32) NOS2
SCHEMBL12279581 0.83 SLC7A5 (0.33) CYP3A4SLC7A5CYP1A2
SCHEMBL6338009 0.83 SLC7A5 (0.33) CYP3A4SLC7A5CYP1A2
SCHEMBL12279297 0.83 SLC7A5 (0.33) CYP3A4SLC7A5CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968080-B1 ORAL FORMULATION OF POLYGLUCOSAMINE DERIVATIVES IN COMBINATION WITH A NON-FERMENTABLE SUGAR SYNEDGEN INC (US) 2023-05-10 EP disclosed
WO-2021221656-A1 COMPOSITIONS AND METHODS OF USE THEREOF SYNEDGEN, INC. (US) 2021-11-04 WO disclosed
EP-2897622-B1 METHODS FOR TREATMENT OR PREVENTION OF DAMAGE RESULTING FROM RADIATION SYNEDGEN INC (US) 2021-04-21 EP disclosed
EP-3311823-A1 METHODS AND COMPOSITIONS FOR DISRUPTING BIOFILM UTILIZING CHITOSAN-DERIVATIVE COMPOUNDS Synedgen, Inc. (US) 2018-04-25 EP disclosed
US-9822134-B2 System for delivering therapeutic agents into living cells and cells nuclei SABAG-RFA LTD. (IL) 2017-11-21 US disclosed
US-9738660-B2 Selective inhibitors for protein kinases and pharmaceutical composition and use thereof NATIONAL CHIAO TUNG UNIVERSITY (CN) 2017-08-22 US disclosed
US-9738660-B2 Selective inhibitors for protein kinases and pharmaceutical composition and use thereof NATIONAL CHIAO TUNG UNIVERSITY (CN) 2017-08-22 US disclosed
EP-2473042-B1 METHODS AND COMPOSITIONS FOR DISRUPTING BIOFILM UTILIZING CHITOSAN-DERIVATIVE COMPOUNDS SYNEDGEN INC (US) 2017-08-02 EP disclosed
US-20160096848-A1 SELECTIVE INHIBITORS FOR PROTEIN KINASES AND PHARMACEUTICAL COMPOSITION AND USE THEREOF NATIONAL CHIAO TUNG UNIVERSITY (CN) 2016-04-07 US disclosed
US-9067967-B2 Peptides useful in the treatment and care of the skin and mucous membranes and their use in cosmetic or pharmaceutical compositions LIPOTEC, S.A. (ES) 2015-06-30 US disclosed
US-20140120141-A1 PEPTIDES USEFUL IN THE TREATMENT AND CARE OF THE SKIN AND MUCOUS MEMBRANES AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS LIPOTEC S.A. (ES) 2014-05-01 US disclosed
US-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 US disclosed
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-15 US disclosed
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-13 US disclosed
US-7652028-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2010-01-26 US disclosed
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof INOTEK PHARMACEUTICALS CORPORATION 2010-01-07 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 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-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS CYP3A4 1682/4885SLC7A5 4773/4885HRH4 3935/4885
US-20160096848-A1 SELECTIVE INHIBITORS FOR PROTEIN KINASES AND PHARMACEUTICAL COMPOSITION AND USE THEREOF CSNK1A1, MAP3K1, PACSIN2 CYP3A4 2764/4885SLC7A5 1394/4885HRH4 2440/4885
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS CYP3A4 1682/4885SLC7A5 4773/4885HRH4 3935/4885
US-20140120141-A1 PEPTIDES USEFUL IN THE TREATMENT AND CARE OF THE SKIN AND MUCOUS MEMBRANES AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS CUTA, MC1R, VIP CYP3A4 4830/4885SLC7A5 1605/4885HRH4 930/4885
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof TNNI3, IDH2, GLS CYP3A4 1682/4885SLC7A5 4773/4885HRH4 3935/4885
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS CYP3A4 1682/4885SLC7A5 4773/4885HRH4 3935/4885

“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.