SCHEMBL6397133

SCHEMBL6397133

Cc1c(NC(=O)c2ccccc2)ccc(NC(=O)N(C)Cc2ccccc2)c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 2/20 0.57
MAPT P10636 1/20 0.57
MTOR P42345 2/20 0.48
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.43
LTC4S Q16873 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL6398932 0.84 ABCC1 (0.59) ABCC1MAPTMTORHDAC1NPC1
SCHEMBL6402953 0.81 ABCC1 (0.53) ABCC1MTORNPC1RAB9A
SCHEMBL6402233 0.72 KCNQ4 (0.43) ABCC1MTORMEN1KMT2A
SCHEMBL5808443 0.71 MTOR (0.82) ABCC1MTORNPC1RAB9AKMT2A
SCHEMBL12994640 0.69 MTOR (0.70) ABCC1MAPTMTORNPC1RAB9A
SCHEMBL16330055 0.69 POLB (0.72) MAPTHDAC1NPC1RAB9AMEN1
SCHEMBL21400883 0.69 ABCC1 (0.66) ABCC1MTORHDAC1HDAC6NPC1
SCHEMBL4564196 0.68 HDAC1 (0.60) MAPTHDAC1HDAC6HPGDPOLB
SCHEMBL968919 0.67 NPC1 (0.67) ABCC1MTORNPC1RAB9AMEN1
SCHEMBL3268839 0.66 POLB (0.54) MAPTHDAC1HDAC6NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059817-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives SIRNA THERAPEUTICS, INC. (US) 2005-03-17 US disclosed
US-20050032795-A1 2-Amino-benzoxazinones for the treatment of herpes simplex virus G.D. SEARLE & CO. (US) 2005-02-10 US disclosed
US-6806269-B1 EFFECTIVE AT LOWER CONCENTRATIONS; SUCH AS 6-(((1,1-DIMETHYL-ETHOXY)CARBONYL)AMINO)-5-METHYL-2-(METHYL(PHENYLMETHYL) -AMINO)-4H-3,1-BENZOXAZIN-4-ONE G. D. SEARLE & COP 2004-10-19 US disclosed
US-6686463-B2 FEWER SYNTHETIC STEPS; INVOLVES FORMATION OF A 5',4'-BRIDGING SILYL PROTECTING GROUP TO FORM A FUSED SILOXANE ON THE FURAN RING SIRNA THERAPEUTICS, INC. 2004-02-03 US disclosed
EP-1313752-A2 METHODS FOR SYNTHESIZING NUCLEOSIDES, NUCLEOSIDE DERIVATIVES AND NON-NUCLEOSIDE DERIVATIVES RIBOZYME PHARMACEUTICALS, INC. (US) 2003-05-28 EP disclosed
EP-1210088-A4 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF HERPES SIMPLEX VIRUS SEARLE & CO (US) 2003-03-12 EP disclosed
US-20020150936-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives RIBOZYME PHARMACEUTICALS, INC. 2002-10-17 US disclosed
US-20020120129-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives RIBOZYME PHARMACEUTICALS, INC. 2002-08-29 US disclosed
EP-1210088-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF HERPES SIMPLEX VIRUS G.D. SEARLE & CO. (US) 2002-06-05 EP disclosed
WO-2002018405-A2 METHODS FOR SYNTHESIZING NUCLEOSIDES, NUCLEOSIDE DERIVATIVES AND NON-NUCLEOSIDE DERIVATIVES RIBOZYME PHARMACEUTICALS, INCORPORATED (US) 2002-03-07 WO disclosed
WO-2001003697-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF HERPES SIMPLEX VIRUS G.D. SEARLE & CO. (US) 2001-01-18 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 (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-20050059817-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives PNP, NSUN2, NT5C3B ABCC1 3415/4885MAPT 2375/4885MTOR 952/4885
US-20020120129-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives PNP, NSUN2, NT5C3B ABCC1 3200/4885MAPT 1734/4885MTOR 872/4885
US-20020150936-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives PNP, NSUN2, NT5C3B ABCC1 3649/4885MAPT 2042/4885MTOR 903/4885
US-20050032795-A1 2-Amino-benzoxazinones for the treatment of herpes simplex virus GABBR1, GABBR2, EBNA1BP2 ABCC1 4017/4885MAPT 3656/4885MTOR 4345/4885

“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.