SCHEMBL4590400

SCHEMBL4590400

CC(C)(COC(N)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
TAAR1 Q96RJ0 1/20 0.48
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
CYP1A2 P05177 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HIF1A Q16665 2/20 0.44
KCNN4 O15554 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 3/20 0.43
HSD17B10 Q99714 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
SCHEMBL8034200 0.85 HIF1A (0.47) MAPTKMT2ATAAR1GRIN2DGRIN3B
SCHEMBL111213 0.83 ALDH1A1 (0.50) MAPTKMT2ATAAR1GRIN2DGRIN3B
SCHEMBL2491152 0.82 GRIN2D (0.49) MAPTKMT2AGRIN2DGRIN3BGRIN1
SCHEMBL27898832 0.82 GRIN2D (0.49) MAPTKMT2AGRIN2DGRIN3BGRIN1
SCHEMBL11268748 0.81 ALDH1A1 (0.48) MAPTKMT2ATAAR1GRIN2DGRIN3B
SCHEMBL11266149 0.81 HIF1A (0.44) MAPTKMT2ATAAR1GRIN2DGRIN3B
SCHEMBL28781154 0.80 PARP1 (0.41) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25840100 0.80 GRIN2D (0.48) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24633608 0.80 HIF1A (0.43) MAPTKMT2ATAAR1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL3679217 0.80 ALDH1A1 (0.47) MAPTKMT2ATAAR1GRIN2DGRIN3B

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
CN-112279808-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-03-08 CN disclosed
CN-112250627-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-02-02 CN disclosed
CN-112375313-A Anti-biological compound PVC heat stabilizer and preparation method thereof 山东和隆新材料科技有限公司 2021-02-19 CN disclosed
CN-112279808-A Cystic fibrosis transmembrane transduction modulator modulators 弗特克斯药品有限公司 2021-01-29 CN disclosed
CN-112250627-A Cystic fibrosis transmembrane transduction modulator modulators 弗特克斯药品有限公司 2021-01-22 CN disclosed
CN-107690281-B Cystic fibrosis transmembrane transduction modulator modulators 弗特克斯药品有限公司 2020-11-17 CN disclosed
EP-2755949-B1 FUNGICIDAL 4-SUBSTITUTED-3-{PHENYL[(HETEROCYCLYLMETHOXY)IMINO]METHYL}-1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES BAYER IP GMBH (DE) 2015-10-21 EP disclosed
US-9090600-B2 Fungicidal 4-substituted-3-{phenyl[(heterocyclylmethoxy)imino]methyl}-1,2,4-oxadizol-5(4H)-one derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-28 US disclosed
US-20140349848-A1 FUNGICIDAL 4-SUBSTITUTED-3--1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 US disclosed
EP-1937656-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS BETA 2 ADRENOCEPTOR AGONISTS AstraZeneca AB (SE) 2008-07-02 EP disclosed
WO-2007027134-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS β2 ADRENOCEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-03-08 WO disclosed
CN-1384832-A Pesticidal aminoheterocyclamide compounds NOVARTIS AG (CH) 2002-12-11 CN disclosed
CN-1384826-A Pesticidal N-heteroaryl alpha-alkoximino-carboxamides NOVARITS AG (CH) 2002-12-11 CN 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-20140349848-A1 FUNGICIDAL 4-SUBSTITUTED-3--1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES CYP4X1, CYP4B1, CYP4Z1 MAPT 4132/4885KMT2A 2404/4885TAAR1 1325/4885

“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.