SCHEMBL3203924

SCHEMBL3203924

O=C(N[C@@H]1[C@H](C(=O)O)[C@@H]2C=C[C@H]1C2)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
CPB1 P15086 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
TSHR P16473 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.45
EPHX1 P07099 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL19437142 1.00 ALDH1A1 (0.53) ALDH1A1GAACPB1NPSR1TAAR1
SCHEMBL4379957 1.00 ALDH1A1 (0.53) ALDH1A1GAACPB1NPSR1TAAR1
SCHEMBL4386420 1.00 ALDH1A1 (0.53) ALDH1A1GAACPB1NPSR1TAAR1
SCHEMBL3223441 1.00 ALDH1A1 (0.53) ALDH1A1GAACPB1NPSR1TAAR1
SCHEMBL3204209 1.00 ALDH1A1 (0.53) ALDH1A1GAACPB1NPSR1TAAR1
SCHEMBL3219056 1.00 ALDH1A1 (0.53) ALDH1A1GAACPB1NPSR1TAAR1
SCHEMBL30221997 0.90 ALDH1A1 (0.56) ALDH1A1GAACPB1TSHRSMN1; SMN2
SCHEMBL13643316 0.90 CPB1 (0.50) ALDH1A1GAACPB1TSHRCA1
SCHEMBL29553101 0.90 TSHR (0.55) ALDH1A1GAACPB1TSHRCA1
SCHEMBL9937871 0.90 ALDH1A1 (0.56) ALDH1A1GAACPB1TSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129224-B1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS INC (US) 2016-03-30 EP disclosed
US-9156832-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-20150065492-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS INC (US) 2015-03-05 US disclosed
US-8815847-B2 [1,2,4]thiadiazine 1,1-dioxide compounds for lowering serum uric acid ANADYS PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
US-8765741-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-20140031346-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2014-01-30 US disclosed
US-8546602-B2 5,6-D hydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-20120316156-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS FOR LOWERING SERUM URIC ACID ANADYS PHARMACEUTICALS, INC. (US) 2012-12-13 US disclosed
US-20120302744-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2012-11-29 US disclosed
US-8236948-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2012-08-07 US disclosed
US-20120130068-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20100034773-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2010-02-11 US disclosed
US-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES ANADYS PHARMACEUTICALS, INC. (US) 2008-11-27 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 (7 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-20100034773-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS HAVCR2, PYGL, HCCS ALDH1A1 417/4885GAA 1618/4885CPB1 1589/4885
US-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES CYP1B1, CYP2E1, DAZAP1 ALDH1A1 143/4885GAA 4378/4885CPB1 3693/4885
US-20120302744-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS DPYD, NQO1, MT-ND5 ALDH1A1 205/4885GAA 2633/4885CPB1 3198/4885
US-20120130068-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS DPYD, NQO1, MT-ND5 ALDH1A1 205/4885GAA 2633/4885CPB1 3198/4885
US-20140031346-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS HAVCR2, CCR3, C5 ALDH1A1 786/4885GAA 2642/4885CPB1 737/4885
US-20120316156-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS FOR LOWERING SERUM URIC ACID THOP1, XDH, DUOX1 ALDH1A1 16/4885GAA 1717/4885CPB1 2140/4885
US-20150065492-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS HAVCR2, PYGL, HCCS ALDH1A1 417/4885GAA 1618/4885CPB1 1589/4885

“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.