SCHEMBL2889646

SCHEMBL2889646

CCOC(=O)CC(=O)c1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 4/20 0.52
POLB P06746 3/20 0.52
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
GAA P10253 3/20 0.48
PKM P14618 2/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 4/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL742381 0.86 ALDH1A1 (0.55) TSHRMAPTSMN1; SMN2LMNAPOLB
SCHEMBL275672 0.86 LMNA (0.50) TSHRMAPTSMN1; SMN2LMNAPOLB
SCHEMBL6989419 0.85 ALDH1A1 (0.59) MAPTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL6284647 0.84 LMNA (0.58) MAPTSMN1; SMN2LMNANPC1KMT2A
SCHEMBL3559893 0.82 TSHR (0.64) TSHRMAPTSMN1; SMN2LMNAPOLB
SCHEMBL12695302 0.82 TSHR (0.68) TSHRMAPTSMN1; SMN2LMNAPOLB
SCHEMBL30951612 0.81 ALDH1A1 (0.54) TSHRMAPTSMN1; SMN2LMNARAB9A
SCHEMBL29254490 0.81 ALDH1A1 (0.54) TSHRMAPTSMN1; SMN2LMNARAB9A
SCHEMBL276340 0.80 LMNA (0.59) MAPTSMN1; SMN2LMNAPOLBRAB9A
SCHEMBL8318179 0.79 TSHR (0.68) TSHRMAPTSMN1; SMN2LMNAPOLB

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
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2010-05-27 US disclosed
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2010-05-27 US disclosed
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2010-05-27 US disclosed
US-7674807-B2 Heterocycle-substituted n-phenyl-phthalamide derivatives, related compounds and their use as insecticides BAYER CROPSCIENCE AG (DE) 2010-03-09 US disclosed
US-7674807-B2 Heterocycle-substituted n-phenyl-phthalamide derivatives, related compounds and their use as insecticides BAYER CROPSCIENCE AG (DE) 2010-03-09 US disclosed
US-7674807-B2 Heterocycle-substituted n-phenyl-phthalamide derivatives, related compounds and their use as insecticides BAYER CROPSCIENCE AG (DE) 2010-03-09 US disclosed
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
EP-1727804-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-12-06 EP disclosed
WO-2005095351-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2005-10-13 WO disclosed
CN-1437587-A Benzoxazepinones and their use as squalene synthetase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-08-20 CN disclosed
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 US disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 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-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 TSHR 1924/4885MAPT 4020/4885SMN1; SMN2 1140/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT TSHR 1289/4885MAPT 3425/4885SMN1; SMN2 840/4885
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 TSHR 3710/4885MAPT 4824/4885SMN1; SMN2 4321/4885

“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.