SCHEMBL2890312

SCHEMBL2890312

CNC(=O)/C(=N/OC)c1ccccc1CO/N=C/Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.51
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
SLC1A5 Q15758 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2890313 1.00 HIF1A (0.51) HIF1AKMT2AKDM4EMAPTMEN1
SCHEMBL27038477 0.91 HIF1A (0.61) HIF1AKMT2AKDM4EMAPTMEN1
SCHEMBL8423691 0.91 HIF1A (0.61) HIF1AKMT2AKDM4EMAPTMEN1
SCHEMBL9023766 0.86 HIF1A (0.47) HIF1AKMT2AKDM4EMAPTMEN1
SCHEMBL8357978 0.86 HIF1A (0.38) HIF1AKMT2AKDM4EMAPTMEN1
SCHEMBL8760920 0.82 HIF1A (0.44) HIF1AKMT2AKDM4EMAPTMEN1
SCHEMBL3661940 0.81 HIF1A (0.51) HIF1AKMT2AKDM4EMAPTMEN1
SCHEMBL321897 0.81 HIF1A (0.45) HIF1AMAPTMAOB
SCHEMBL483559 0.81 HIF1A (0.52) HIF1AKMT2AMEN1
SCHEMBL828172 0.81 HIF1A (0.52) HIF1AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9629367-B2 Active compound combinations containing a thiazoylisoxazoline and a fungicide BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-04-25 US disclosed
US-20150327549-A1 ACTIVE COMPOUND COMBINATIONS CONTAINING A THIAZOYLISOXAZOLINE AND A FUNGICIDE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-11-19 US disclosed
EP-2911513-A1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE Bayer Cropscience LP (US) 2015-09-02 EP disclosed
WO-2014066877-A1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE BAYER CROPSCIENCE LP (US) 2014-05-01 WO disclosed
EP-2699093-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING A (THIO)CARBOXAMIDE DERIVATIVE AND A FUNGICIDAL COMPOUND Bayer Intellectual Property GmbH (DE) 2014-02-26 EP disclosed
US-8410157-B2 Fungicidal N-cycloalkyl-benzyl-thiocarboxamides or N-cycloalkyl-benzyl-N′-substituted-amidine derivatives BAYER CROPSCIENCE AG (DE) 2013-04-02 US disclosed
US-8309592-B2 2012-11-13 US disclosed
WO-2012143127-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING A (THIO)CARBOXAMIDE DERIVATIVE AND A FUNGICIDAL COMPOUND BAYER CROPSCIENCES AG (DE) 2012-10-26 WO disclosed
US-20100144817-A1 FUNGICIDEL N-CYCLOALKYL-BENZYL-THIOCARBOXAMIDES OR N-CYCLOALKYL-BENZYL-N'-SUBSTITUTED-AMIDINE DERIVATIVES BAYER SAS (FR) 2010-06-10 US 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-20150327549-A1 ACTIVE COMPOUND COMBINATIONS CONTAINING A THIAZOYLISOXAZOLINE AND A FUNGICIDE CYP4X1, BROX, PRDX5 HIF1A 3838/4885KMT2A 2591/4885KDM4E 2472/4885
US-20100144817-A1 FUNGICIDEL N-CYCLOALKYL-BENZYL-THIOCARBOXAMIDES OR N-CYCLOALKYL-BENZYL-N'-SUBSTITUTED-AMIDINE DERIVATIVES CBR3, NRDC, NAT1 HIF1A 4619/4885KMT2A 2852/4885KDM4E 3314/4885

“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.