SCHEMBL3769185

SCHEMBL3769185

CCCCCC(C)(O)c1ccccc1N

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.46
CNR2 P34972 5/20 0.46
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 2/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.38
SCN5A Q14524 3/20 0.35
SCN9A Q15858 3/20 0.35
PKM P14618 1/20 0.33
GCGR P47871 1/20 0.33

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
SCHEMBL647668 0.89 HSP90AA1 (0.38) CNR1CNR2HSP90AA1HSP90AB1CYP1A2
SCHEMBL14840318 0.81 CNR2 (0.54) CNR1CNR2CYP1A2CYP2C9CYP2C19
SCHEMBL25007218 0.81 CNR2 (0.54) CNR1CNR2CYP1A2CYP2C9CYP2C19
SCHEMBL7174292 0.81 CNR2 (0.54) CNR1CNR2CYP1A2CYP2C9CYP2C19
SCHEMBL22877802 0.81 CNR2 (0.47) CNR1CNR2CYP1A2CYP2C9CYP2C19
SCHEMBL18759138 0.80 ALDH1A1 (0.36) HSP90AA1HSP90AB1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9420750 0.79 CNR2 (0.52) CNR1CNR2CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL28440141 0.79 CNR2 (0.52) CNR1CNR2CYP1A2CYP2C9CYP2C19
Bromide SCHEMBL9711150 0.79 CNR2 (0.52) CNR1CNR2CYP1A2CYP2C9CYP2C19
SCHEMBL30526183 0.79 HSP90AA1 (0.42) CNR1CNR2HSP90AA1HSP90AB1GAA

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590330-B1 PYRAZOLYL CARBOXANILIDES FOR CONTROLLING UNWANTED MICROORGANISMS BAYER CROPSCIENCE AG (DE) 2013-02-27 EP disclosed
EP-1590330-B1 PYRAZOLYL CARBOXANILIDES FOR CONTROLLING UNWANTED MICROORGANISMS BAYER CROPSCIENCE AG (DE) 2013-02-27 EP disclosed
EP-1414803-B1 PYRAZOLYLCARBOXANILIDES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-12-12 EP disclosed
EP-1414803-B1 PYRAZOLYLCARBOXANILIDES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-12-12 EP disclosed
US-7847108-B2 such as N-[2-(4-bromophenyl)phenyl]-6-trifluoromethyl-2,3-dihydro-1,4-oxathiine-5-carboxamide, used for controlling unwanted microorganisms, for example, bacteria, fungi, yeasts, algae and slime organisms BAYER CROPSCIENCE AG (DE) 2010-12-07 US disclosed
US-7847108-B2 such as N-[2-(4-bromophenyl)phenyl]-6-trifluoromethyl-2,3-dihydro-1,4-oxathiine-5-carboxamide, used for controlling unwanted microorganisms, for example, bacteria, fungi, yeasts, algae and slime organisms BAYER CROPSCIENCE AG (DE) 2010-12-07 US disclosed
US-7847108-B2 such as N-[2-(4-bromophenyl)phenyl]-6-trifluoromethyl-2,3-dihydro-1,4-oxathiine-5-carboxamide, used for controlling unwanted microorganisms, for example, bacteria, fungi, yeasts, algae and slime organisms BAYER CROPSCIENCE AG (DE) 2010-12-07 US disclosed
US-7538073-B2 Pyrazoylcarboxanilides as fungicides BAYER CROPSCIENCE AG (DE) 2009-05-26 US disclosed
US-7538073-B2 Pyrazoylcarboxanilides as fungicides BAYER CROPSCIENCE AG (DE) 2009-05-26 US disclosed
US-7538073-B2 Pyrazoylcarboxanilides as fungicides BAYER CROPSCIENCE AG (DE) 2009-05-26 US disclosed
US-20070004793-A1 such as N-[2-(4-bromophenyl)phenyl]-6-trifluoromethyl-2,3-dihydro-1,4-oxathiine-5-carboxamide, used for controlling unwanted microorganisms, for example, bacteria, fungi, yeasts, algae and slime organisms BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-01-04 US disclosed
US-20070004793-A1 such as N-[2-(4-bromophenyl)phenyl]-6-trifluoromethyl-2,3-dihydro-1,4-oxathiine-5-carboxamide, used for controlling unwanted microorganisms, for example, bacteria, fungi, yeasts, algae and slime organisms BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-01-04 US disclosed
US-20060089399-A1 Pyrazolyl carboxanilides for controlling unwanted microorganisms BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-04-27 US disclosed
EP-1599460-A2 OXATHIIN CARBOXAMIDE Bayer CropScience Aktiengesellschaft (DE) 2005-11-30 EP disclosed
EP-1590330-A1 PYRAZOLYL CARBOXANILIDES FOR CONTROLLING UNWANTED MICROORGANISMS Bayer CropScience AG (DE) 2005-11-02 EP disclosed
US-20040204470-A1 Pyrazoylcarboxanilides as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-10-14 US disclosed
WO-2004072023-A2 OXATHIIN CARBOXAMIDE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-26 WO disclosed
WO-2004067515-A1 PYRAZOLYL CARBOXANILIDES FOR CONTROLLING UNWANTED MICROORGANISMS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-12 WO disclosed
EP-1414803-A1 PYRAZOLYLCARBOXANILIDES AS FUNGICIDES Bayer CropScience AG (DE) 2004-05-06 EP disclosed
WO-2003010149-A1 PYRAZOLYLCARBOXANILIDES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2003-02-06 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-20040204470-A1 Pyrazoylcarboxanilides as fungicides CYP1A1, CYP1B1, CYP2E1 CNR1 1267/4885CNR2 2534/4885HSP90AA1 3143/4885
US-20060089399-A1 Pyrazolyl carboxanilides for controlling unwanted microorganisms MRPL21, PGLS, CYP2E1 CNR1 232/4885CNR2 490/4885HSP90AA1 3977/4885
US-20070004793-A1 such as N-[2-(4-bromophenyl)phenyl]-6-trifluoromethyl-2,3-dihydro-1,4-oxathiine-5-carboxamide, used for controlling unwanted microorganisms, for example, bacteria, fungi, yeasts, algae and slime organisms Q6ZSR9, PFAS, NIT2 CNR1 393/4885CNR2 210/4885HSP90AA1 4288/4885

“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.