SCHEMBL1835751

SCHEMBL1835751

CCOC(=O)Cn1nc(C(F)(F)F)nc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
CYP2C9 P11712 2/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.42
TRPM2 O94759 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C19 P33261 2/20 0.41
GAA P10253 2/20 0.40
PTGS2 P35354 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL31636836 0.84 MAPK1 (0.43) HSD17B10CYP2C9CYP1A2HPGDMAPK1
SCHEMBL22406694 0.75 MAPK1 (0.65) HSD17B10CYP2C9CYP1A2HPGDMAPK1
SCHEMBL1829056 0.72 HSD17B10 (0.60) HSD17B10CYP2C9CYP1A2HPGDMAPK1
SCHEMBL12402802 0.71 GAA (0.48) HSD17B10CYP2C9MAPK1TSHRPOLB
SCHEMBL13024389 0.70 KDM4E (0.63) CYP2C19KDM4E
SCHEMBL1834368 0.70 LMNA (0.47) HSD17B10CYP2C9HPGDMAPK1TSHR
SCHEMBL3689393 0.69 LMNA (0.46) CYP2C9HPGDMAPK1TSHRPOLB
SCHEMBL2586535 0.69 LMNA (0.46) CYP2C9HPGDMAPK1TSHRPOLB
SCHEMBL12636227 0.69 POLB (0.43) HSD17B10CYP2C9CYP1A2HPGDMAPK1
SCHEMBL14555816 0.69 TSHR (0.44) HSD17B10CYP2C9CYP1A2HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 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 (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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 HSD17B10 2049/4885CYP2C9 34/4885CYP1A2 168/4885

“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.