SCHEMBL775238

SCHEMBL775238

COc1ccc(C[NH])c(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.53
APOBEC3A P31941 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.49
CHRM2 P08172 1/20 0.49
SLC6A4 P31645 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
KDM4E B2RXH2 6/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL8910900 0.82 AOC3 (0.56) AOC3APOBEC3ACTDSP1APOBEC3GALDH1A1
Hydrochloric Acid SCHEMBL2076075 0.81 AOC3 (0.56) AOC3APOBEC3ACTDSP1APOBEC3GALDH1A1
SCHEMBL400747 0.81 IDO1 (0.50) ALDH1A1SMN1; SMN2POLBCYP1A2KDM4E
SCHEMBL30883 0.80 AOC3 (0.55) AOC3APOBEC3ACTDSP1APOBEC3GALDH1A1
SCHEMBL900889 0.79 AOC3 (0.50) AOC3APOBEC3ACTDSP1APOBEC3GALDH1A1
SCHEMBL8597522 0.79 IDO1 (0.55) AOC3APOBEC3ACTDSP1APOBEC3GALDH1A1
SCHEMBL23931092 0.78 AOC3 (0.53) AOC3APOBEC3ACTDSP1APOBEC3GALDH1A1
SCHEMBL2338539 0.78 AOC3 (0.53) AOC3APOBEC3ACTDSP1APOBEC3GALDH1A1
SCHEMBL1340134 0.78 AOC3 (0.53) AOC3APOBEC3ACTDSP1APOBEC3GALDH1A1
SCHEMBL4678057 0.78 AOC3 (0.53) AOC3APOBEC3ACTDSP1APOBEC3GALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938279-B2 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) ENERGENESIS BIOMEDICAL CO., LTD (TW) 2018-04-10 US disclosed
US-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) ENERGENESIS BIOMEDICAL CO., LTD (TW) 2014-10-09 US disclosed
EP-2755977-A1 6, 8- DISUBSTITUTED PURINE COMPOSITIONS AND THEIR PHARMACEUTICAL AND COSMETIC USE Univerzita Palackého v Olomouci (CZ) 2014-07-23 EP disclosed
US-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2014-03-06 US disclosed
US-8552013-B2 Heterocyclic compounds based on N6-substituted adenine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2013-10-08 US disclosed
WO-2013037333-A1 6, 8- DISUBSTITUTED PURINE COMPOSITIONS AND THEIR PHARMACEUTICAL AND COSMETIC USE UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2013-03-21 WO disclosed
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2012-03-22 US disclosed
US-20080014227-A1 HETEROCYCLIC COMPOUNDS BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2008-01-17 US disclosed
US-4210648-A ANTIULCEROGENICS, SECRETION INHIBITORS BOEHRINGER INGELHEIM GMBH (DE) 1980-07-01 US disclosed
US-4210648-A ANTIULCEROGENICS, SECRETION INHIBITORS BOEHRINGER INGELHEIM GMBH (DE) 1980-07-01 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 (4 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-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives PNP, NUDT1, TYMP AOC3 3212/4885APOBEC3A 1347/4885CTDSP1 674/4885
US-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) PRKAG2, PRKAB2, PRKAG1 AOC3 2810/4885APOBEC3A 4304/4885CTDSP1 4311/4885
US-20080014227-A1 HETEROCYCLIC COMPOUNDS BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS TYMP, CCNB1, CCNA2 AOC3 3364/4885APOBEC3A 735/4885CTDSP1 1476/4885
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives CD38, NUDT1, PNP AOC3 3481/4885APOBEC3A 1704/4885CTDSP1 1126/4885

“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.