SCHEMBL7074556

SCHEMBL7074556

Cc1ccc(OC(C)C(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
PARP10 Q53GL7 1/20 0.48
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN2A Q99250 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.44
MAPT P10636 2/20 0.44
NLRP1 Q9C000 1/20 0.44

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
SCHEMBL7074553 1.00 KMT2A (0.54) KMT2AMEN1PARP10ALDH1A1CYP1A2
SCHEMBL31147135 0.84 PARP10 (0.48) KMT2APARP10ALDH1A1CYP1A2GAA
SCHEMBL8613306 0.84 PARP10 (0.48) KMT2APARP10ALDH1A1CYP1A2GAA
SCHEMBL8613307 0.84 PARP10 (0.48) KMT2APARP10ALDH1A1CYP1A2GAA
SCHEMBL15652500 0.84 PARP10 (0.48) KMT2APARP10ALDH1A1CYP1A2GAA
SCHEMBL8612180 0.84 PARP10 (0.48) KMT2APARP10ALDH1A1CYP1A2GAA
SCHEMBL1117012 0.84 TAS1R3 (0.65) KMT2AMEN1PARP10ALDH1A1GAA
SCHEMBL4689279 0.82 POLB (0.62) KMT2AMEN1PARP10ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL31147134 0.82 PARP10 (0.47) KMT2APARP10ALDH1A1CYP1A2GAA
SCHEMBL6479499 0.82 ALDH1A1 (0.55) KMT2AMEN1PARP10ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 US disclosed
US-9326515-B2 Fungicidal 3-[(1,3-thiazol-4-ylmethoxyimino)(phenyl)methyl]-2-substituted-1,2,4-oxadiazol-5(2H)-one derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-03 US 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
EP-2797895-B1 FUNGICIDAL 3-[(1,3-THIAZOL-4-YLMETHOXYIMINO)(PHENYL)METHYL]-2-SUBSTITUTED-1,2,4-OXADIAZOL-5(2H)-ONE DERIVATIVES BAYER IP GMBH (DE) 2015-08-05 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-20150031730-A1 FUNGICIDAL 3-[(1,3-THIAZOL-4-YLMETHOXYIMINO)(PHENYL)METHYL]-2-SUBSTITUTED-1,2,4-OXADIAZOL-5(2H)-ONE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-29 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-2755949-A1 FUNGICIDAL 4-SUBSTITUTED-3-{PHENYL[(HETEROCYCLYLMETHOXY)IMINO]METHYL}-1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2014-07-23 EP disclosed
WO-2013037717-A1 FUNGICIDAL 4-SUBSTITUTED-3-{PHENYL[(HETEROCYCLYLMETHOXY)IMINO]METHYL}-1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-21 WO disclosed
WO-2003059356-A2 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2003-07-24 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 (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-20140349848-A1 FUNGICIDAL 4-SUBSTITUTED-3--1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES CYP4X1, CYP4B1, CYP4Z1 KMT2A 2404/4885MEN1 1660/4885PARP10 4792/4885
US-20150031730-A1 FUNGICIDAL 3-[(1,3-THIAZOL-4-YLMETHOXYIMINO)(PHENYL)METHYL]-2-SUBSTITUTED-1,2,4-OXADIAZOL-5(2H)-ONE DERIVATIVES CYP51A1, TH, CYP4X1 KMT2A 1261/4885MEN1 2481/4885PARP10 4861/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 KMT2A 3400/4885MEN1 4747/4885PARP10 1513/4885

“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.