SCHEMBL2353369

SCHEMBL2353369

CCOC=C(C(=O)OCC)C(=O)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
CTNNB1 P35222 2/20 0.42
WNT3A P56704 2/20 0.42

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
SCHEMBL16418301 1.00 MAPT (0.49) MAPTCYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL16418302 0.85 MAPT (0.53) MAPTCYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL5479636 0.82 CES2 (0.60) MAPTCYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL28533131 0.80 CES2 (0.56) MAPTCYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL14267038 0.79 CYP2C19 (0.47) MAPTCYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL8253633 0.79 CYP2C19 (0.47) MAPTCYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL5263495 0.79 ALDH1A1 (0.58) MAPTCES2CES1MEN1KMT2A
SCHEMBL995357 0.79 ALDH1A1 (0.58) MAPTCES2CES1MEN1KMT2A
SCHEMBL995358 0.79 ALDH1A1 (0.58) MAPTCES2CES1MEN1KMT2A
SCHEMBL15705183 0.78 CYP1A2 (0.42) MAPTCYP1A2CYP3A4CYP2D6MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352723-B1 PESTICIDAL N-ARYL- OR N-HETEROARYL PYRAZOLE CARBOXAMIDE COMPOUNDS BAYER IP GMBH (DE) 2016-11-23 EP disclosed
US-20150099766-A1 Novel halogen-substituted compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-09 US disclosed
US-8946234-B2 Halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2015-02-03 US disclosed
US-20110301181-A1 halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2011-12-08 US disclosed
EP-2352723-A2 HALOGEN-SUBSTITUTED COMPOUNDS USED AS PESTICIDES Bayer CropScience AG (DE) 2011-08-10 EP disclosed
WO-2010051926-A2 NEW HALOGEN-SUBSTITUTED BONDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-05-14 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 (2 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-20110301181-A1 halogen-substituted compounds L3MBTL4, QSOX1, L3MBTL3 MAPT 4184/4885CYP1A2 80/4885CYP3A4 279/4885
US-20150099766-A1 Novel halogen-substituted compounds L3MBTL4, PRDX4, PRDX1 MAPT 4164/4885CYP1A2 174/4885CYP3A4 273/4885

“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.