SCHEMBL549298

SCHEMBL549298

CC(=O)OC(C)OC(=O)NC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NC(=O)OC(C)OC(C)=O)cc3)o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 14/20 0.47
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
TOP1 P11387 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PRMT1 Q99873 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
LMNA P02545 1/20 0.35
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL5485793 0.83 NQO2 (0.53) NQO2ALDH1A1HPGDTOP1CASP1
SCHEMBL20118514 0.81 SCN1A (0.37) ALDH1A1TDP1LMNAMAPTNPC1
SCHEMBL549273 0.74 NQO2 (0.59) NQO2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL549333 0.73 NQO2 (0.53) NQO2ALDH1A1HPGDTOP1CASP1
SCHEMBL548327 0.73 NQO2 (0.49) NQO2ALDH1A1HPGDTOP1CASP1
SCHEMBL27631250 0.72 NQO2 (0.44) NQO2ALDH1A1HPGDTOP1CASP1
SCHEMBL549163 0.71 NQO2 (0.40) NQO2ALDH1A1HPGDTOP1CASP1
SCHEMBL548447 0.71 NQO2 (0.51) NQO2ALDH1A1HPGDTOP1CASP1
SCHEMBL549233 0.70 NQO2 (0.52) NQO2ALDH1A1HPGDTOP1CASP1
SCHEMBL3508130 0.70 NQO2 (0.52) NQO2ALDH1A1HPGDTOP1CASP1

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242059-B1 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES UNIV NORTH CAROLINA (US) 2007-03-21 EP claimed
CN-1681511-A Combinations of drugs for the treatment of neoplasms COMBINATORX INC (US) 2005-10-12 CN claimed
EP-1891013-B1 TETRAHYDROQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-07-23 EP disclosed
US-8524732-B2 Substituted tetrahydroquinolines MERCK PATENT GMBH (DE) 2013-09-03 US disclosed
EP-2121700-B1 SUBSTITUTED TETRAHYDROQUINOLINES MERCK PATENT GMBH (DE) 2012-10-03 EP disclosed
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-20120130147-A1 METHODS FOR THE TREATMENT OF TUMORS WITH INDANE COMPOUNDS FINSINGER DIRK (DE) 2012-05-24 US disclosed
US-8110583-B2 treatment of tumors; 1,5-bis(4'-(N-hydroxyamidino)phenoxy)pentane; maintain cells in the G2/M cell cycle MERCK PATENT GMBH (DE) 2012-02-07 US disclosed
EP-2033959-B1 Tetrahydropyranoquinoline derivatives MERCK PATENT GMBH (DE) 2011-04-27 EP disclosed
US-7915416-B2 Tetrahydroquinolines MERCK PATENT GMBH (DE) 2011-03-29 US disclosed
US-7893082-B2 Antitumor agents; anticancer agents MERCK PATENT GMBH (DE) 2011-02-22 US disclosed
WO-2006133805-A1 TETRAHYDROQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2006-12-21 WO disclosed
WO-2006133821-A1 TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 MERCK PATENT GMBH (DE) 2006-12-21 WO disclosed
WO-2006125555-A2 QUINAZOLINONES MERCK PATENT GMBH (DE) 2006-11-30 WO disclosed
WO-2006097176-A1 PHTHALAZINONES MERCK PATENT GMBH (DE) 2006-09-21 WO disclosed
WO-2006094602-A1 INDANE MERCK PATENT GMBH (DE) 2006-09-14 WO disclosed
WO-2006002726-A1 TETRAHYDROQUINOLINES MERCK PATENT GMBH (DE) 2006-01-12 WO disclosed
WO-2005108355-A2 DIHYDROBENZOTHIOPHENES MERCK PATENT GMBH (DE) 2005-11-17 WO disclosed
CN-1681511-A Combinations of drugs for the treatment of neoplasms COMBINATORX INC (US) 2005-10-12 CN disclosed
WO-2005063735-A1 2-(HETERO)-ARYL-SUBSTITUTED TETRAHYDROQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2005-07-14 WO 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 (1 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-20120130147-A1 METHODS FOR THE TREATMENT OF TUMORS WITH INDANE COMPOUNDS TP53, IDH3A, IDH2 NQO2 20/4885ALDH1A1 347/4885HPGD 727/4885

“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.