SCHEMBL4801263

SCHEMBL4801263

COC(=O)c1cnn(C)c1C(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
SPR P35270 1/20 0.35
DRD3 P35462 1/20 0.35
MAPT P10636 2/20 0.35
CNR2 P34972 1/20 0.35
ALOX15 P16050 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
SCHEMBL2192830 0.83 CYP1A2 (0.40) CYP1A2CYP2C19KMT2AKDM4EALDH1A1
SCHEMBL4799225 0.83 NPC1 (0.45) KMT2AKDM4EALDH1A1TSHRNPC1
SCHEMBL9204354 0.80 CYP1A2 (0.44) CYP1A2CYP2C19KMT2AKDM4EALDH1A1
SCHEMBL1012183 0.75 KDM4E (0.36) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL9201765 0.75 CYP1A2 (0.43) CYP1A2CYP2C19KMT2AKDM4EALDH1A1
SCHEMBL28965242 0.75 CYP1A2 (0.50) CYP1A2CYP2C19KMT2AKDM4EALDH1A1
SCHEMBL10184712 0.75 KMT2A (0.53) CYP1A2CYP2C19KMT2AKDM4EALDH1A1
SCHEMBL26117581 0.75 CYP1A2 (0.47) CYP1A2CYP2C19KMT2AKDM4EALDH1A1
SCHEMBL17895911 0.74 CYP1A2 (0.46) CYP1A2CYP2C19KMT2AKDM4EALDH1A1
SCHEMBL9196622 0.74 CYP1A2 (0.43) CYP1A2CYP2C19KMT2AKDM4EALDH1A1

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
CN-106467492-B preparation method of polyfluoromethyl pyrazole compound, intermediate and preparation method 联化科技(盐城)有限公司 2019-12-17 CN disclosed
EP-1678119-B1 METHOD FOR PRODUCING 2-DIHALOACYL-3-AMINO-ACRYLIC ACID ESTERS AND 3-DIHALOMETHYL-PYRAZOLE-4-CARBOXYLIC ACID ESTERS BAYER CROPSCIENCE AG (DE) 2011-01-05 EP disclosed
US-7358387-B2 Method for producing 2-dihaloacyl-3-amino-acrylic acid esters and 3-dihalomethyl pyrazole-4-carboxylic acid esters BAYER CROPSCIENCE AG (DE) 2008-04-15 US disclosed
US-7358387-B2 Method for producing 2-dihaloacyl-3-amino-acrylic acid esters and 3-dihalomethyl pyrazole-4-carboxylic acid esters BAYER CROPSCIENCE AG (DE) 2008-04-15 US disclosed
US-7358387-B2 Method for producing 2-dihaloacyl-3-amino-acrylic acid esters and 3-dihalomethyl pyrazole-4-carboxylic acid esters BAYER CROPSCIENCE AG (DE) 2008-04-15 US disclosed
US-20060252944-A1 Method for producing 2-dihaloacyl-3-amino-acrylic acid esters and 3-dihalomethyl pyrazole-4-carboxylic acid esters BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-11-09 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 (1 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-20060252944-A1 Method for producing 2-dihaloacyl-3-amino-acrylic acid esters and 3-dihalomethyl pyrazole-4-carboxylic acid esters DDC, IDUA, AADAT CYP1A2 173/4885CYP2C19 194/4885KMT2A 902/4885

“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.