SCHEMBL516012

SCHEMBL516012

CCOC(=O)CCc1nc2c([nH]1)c(=O)n(C)c(=O)n2C

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.65
ALDH1A1 P00352 4/20 0.62
CYP2C19 P33261 3/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 2/20 0.60
HSD17B10 Q99714 2/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
RXFP1 Q9HBX9 1/20 0.50
CYP2D6 P10635 1/20 0.49
PABPC1 P11940 1/20 0.49
NR2F2 P24468 1/20 0.48
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL16029602 0.93 ALDH1A1 (0.67) POLBALDH1A1CYP2C19CYP1A2CYP3A4
SCHEMBL3860921 0.87 ALDH1A1 (0.65) POLBALDH1A1CYP2C19CYP1A2CYP3A4
SCHEMBL3389758 0.83 ALDH1A1 (0.82) POLBALDH1A1CYP2C19CYP1A2CYP3A4
SCHEMBL22522002 0.80 HTT (0.54) POLBALDH1A1CYP2C19CYP1A2CYP3A4
SCHEMBL516379 0.80 POLB (1.00) POLBALDH1A1CYP2C19CYP1A2CYP3A4
SCHEMBL16029861 0.79 POLB (0.56) POLBALDH1A1CYP2C19CYP1A2CYP3A4
SCHEMBL3455612 0.78 POLB (0.75) POLBALDH1A1CYP2C19CYP1A2CYP3A4
SCHEMBL16029596 0.78 POLB (0.49) POLBALDH1A1CYP2C19CYP1A2CYP3A4
SCHEMBL5717642 0.78 ALDH1A1 (0.74) POLBALDH1A1CYP2C19CYP1A2CYP3A4
SCHEMBL925084 0.78 ALDH1A1 (0.92) POLBALDH1A1CYP2C19CYP1A2CYP3A4

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
EP-2970316-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-11-08 EP disclosed
EP-2970316-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-11-08 EP disclosed
US-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-05-26 US disclosed
US-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-05-26 US disclosed
WO-2014152287-A9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2015-04-23 WO disclosed
WO-2014152287-A2 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-25 WO disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20120027897-A1 Methods For Quantifying The Complete Nutritional Value Of A Standard Equivalent Unit Of The Nutritional Value Of One Serving Of Fruits & Vegetables (SFV)And For Fortifying A Base Food To Contain Same For Human Consumption INNOCENZI MARK A (US) 2012-02-02 US disclosed
US-8053007-B2 Compositions and methods for fortifying a base food to contain the complete nutritional value of a standard equivalent unit of the nutritional value of one serving of fruits and vegetables (“SFV”) for human consumption Innocenzi, Mark (US) 2011-11-08 US disclosed
US-20110250318-A1 COMPOSITIONS AND METHODS FOR FORTIFYING A BASE FOOD TO CONTAIN THE COMPLETE NUTRITIONAL VALUE OF ONE SERVING OF FRUITS AND VEGTABLES (\"SFV\") FOR HUMAN CONSUMPTION INNOCENZI MARK 2011-10-13 US disclosed
US-6703056-B2 .01-10% OF ARABINOGALACTAN, AND ZINC, IRON, MAGNESIUM, CALCIUM, SELENIUM, IODINE, OR FLUORINE THE PROCTER + GAMBLE CO. 2004-03-09 US disclosed
US-20020136802-A1 Beverage compositions comprising arabinogalactan and defined minerals THE PROCTER & GAMBLE CO. 2002-09-26 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 (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-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 POLB 3162/4885ALDH1A1 1647/4885CYP2C19 3004/4885
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 POLB 3162/4885ALDH1A1 1647/4885CYP2C19 3004/4885

“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.