SCHEMBL526062

SCHEMBL526062

Nc1ccccc1C(N)(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.45
ALOX15 P16050 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
TSHR P16473 5/20 0.42
ALDH1A1 P00352 6/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 3/20 0.37
MAPT P10636 2/20 0.37
FDPS P14324 1/20 0.35
TDP1 Q9NUW8 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 4/20 0.33
HPGD P15428 2/20 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
SCHEMBL31413647 0.84 CYP3A4 (0.45) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL2790363 0.80 CYP3A4 (0.41) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL3290476 0.78 CYP3A4 (0.50) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL168119 0.77 CYP3A4 (0.43) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL29470925 0.77 PGR (0.46) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL79300 0.77 PGR (0.46) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL10636658 0.77 KCNN4 (0.42) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL2202783 0.75 CYP3A4 (0.53) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL344167 0.74 CYP3A4 (0.45) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL4706664 0.74 CYP3A4 (0.45) CYP3A4ALOX15SMN1; SMN2CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012014109-A1 HETEROCYCLIC SULFONAMIDES AS INHIBITORS OF TRANSFER RNA SYNTHETASE FOR USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed
US-7884098-B2 2-{[5-Fluoro-2-({3-[2-(4-morpholinyl)ethyl]phenyl}amino)-4-pyrimidinyl]amino}-N-(2-hydroxyethyl)benzamide, useful in the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-02-08 US disclosed
US-20100016318-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE SMITHKLINE BEECHAM CORPORATION (US) 2010-01-21 US disclosed
US-7625903-B2 Anticancer agent; N-(1-methylethyl)-2-[(5-methyl-2-{[3-(4-methyl-2-oxo-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)amino]benzamide SMITHKLINE BEECHAM CORPORATION (US) 2009-12-01 US disclosed
EP-2121637-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE Smithkline Beecham Corporation (US) 2009-11-25 EP disclosed
US-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE GLAXOSMITHKLINE LLC 2008-07-31 US disclosed
WO-2008092049-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE SMITHKLINE BEECHAM CORPORATION (US) 2008-07-31 WO disclosed
US-20070082898-A1 5 Amino-2-carbonylthiophene derivatives for use as p38 map kinase inhibitors in the treatment of inflammatory diseases ASTEX THERAPEUTICS LIMITED (GB) 2007-04-12 US disclosed
EP-1040108-B1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AG (DE) 2004-02-25 EP disclosed
US-6498185-B1 ENZYME FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 2002-12-24 US disclosed
US-6498185-B1 ENZYME FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 2002-12-24 US disclosed
US-6380221-B1 FOR THERAPY OF DISEASE-STATES CHARACTERIZED BY THROMBOTIC ACTIVITY BERLEX LABORATORIES, INC. 2002-04-30 US disclosed
US-6380221-B1 FOR THERAPY OF DISEASE-STATES CHARACTERIZED BY THROMBOTIC ACTIVITY BERLEX LABORATORIES, INC. 2002-04-30 US disclosed
US-6140351-A FOR TREATING THROMBOSIS BERLEX LABORATORIES, INC. (US) 2000-10-31 US disclosed
US-6140351-A FOR TREATING THROMBOSIS BERLEX LABORATORIES, INC. (US) 2000-10-31 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 (3 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-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE AURKA, AURKC, AURKB CYP3A4 4332/4885ALOX15 4743/4885SMN1; SMN2 4359/4885
US-20070082898-A1 5 Amino-2-carbonylthiophene derivatives for use as p38 map kinase inhibitors in the treatment of inflammatory diseases CNKSR1, NOX5, NOX1 CYP3A4 1790/4885ALOX15 471/4885SMN1; SMN2 2683/4885
US-20100016318-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE AURKA, AURKC, AURKB CYP3A4 4296/4885ALOX15 4703/4885SMN1; SMN2 4282/4885

“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.