SCHEMBL9911520

SCHEMBL9911520

CC(C)NCc1ccc(O)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.59
ERCC4 Q92889 2/20 0.59
MAPK1 P28482 6/20 0.57
HSD17B10 Q99714 6/20 0.57
KDM4E B2RXH2 5/20 0.57
HIF1A Q16665 5/20 0.57
MAPT P10636 5/20 0.57
ALOX15 P16050 4/20 0.57
CYP3A4 P08684 4/20 0.57
CYP1A2 P05177 4/20 0.57
NFKB1 P19838 4/20 0.57
ALOX12 P18054 3/20 0.57
MEN1 O00255 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.57
KMT2A Q03164 3/20 0.57
TP53 P04637 3/20 0.57
MTOR P42345 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
LMNA P02545 3/20 0.57

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
SCHEMBL28285719 0.85 GABRA1 (0.50) ERCC1ERCC4MAPK1HSD17B10KDM4E
SCHEMBL9911342 0.85 TRPA1 (0.46) ERCC1ERCC4MAPK1HSD17B10KDM4E
SCHEMBL19091382 0.83 ERCC1 (0.54) ERCC1ERCC4MAPK1HSD17B10KDM4E
SCHEMBL15981393 0.82 ERCC1 (0.49) ERCC1ERCC4MAPK1HSD17B10KDM4E
SCHEMBL6340104 0.81 ERCC1 (0.56) ERCC1ERCC4MAPK1HSD17B10KDM4E
SCHEMBL20988299 0.81 TRPA1 (0.53) ERCC1ERCC4MAPK1HSD17B10KDM4E
SCHEMBL3269173 0.81 KDM4E (0.65) MAPK1HSD17B10KDM4EHIF1AMAPT
SCHEMBL9462879 0.80 ERCC1 (0.59) ERCC1ERCC4MAPK1HSD17B10KDM4E
SCHEMBL11861031 0.80 FOS (0.63) MAPK1HSD17B10KDM4EMAPTALOX15
Hydrochloric Acid SCHEMBL3223575 0.79 KDM4E (0.66) MAPK1HSD17B10KDM4EHIF1AMAPT

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-20180186808-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME LLC 2018-07-05 US disclosed
US-20180186808-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME LLC 2018-07-05 US disclosed
US-9944654-B2 Nargenicin compounds and uses thereof as antibacterial agents MERCK SHARP & DOHME CORP. (US) 2018-04-17 US disclosed
US-9944654-B2 Nargenicin compounds and uses thereof as antibacterial agents MERCK SHARP & DOHME CORP. (US) 2018-04-17 US disclosed
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 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-20180186808-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS NRDC, MME, NME2 ERCC1 1239/4885ERCC4 557/4885MAPK1 277/4885
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS NRDC, MME, NME2 ERCC1 1239/4885ERCC4 557/4885MAPK1 277/4885
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 ERCC1 2247/4885ERCC4 1161/4885MAPK1 1163/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A ERCC1 4720/4885ERCC4 4385/4885MAPK1 940/4885

“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.