SCHEMBL2078044

SCHEMBL2078044

COC(=O)c1cc(NN)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
KDM4E B2RXH2 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ABL1 P00519 1/20 0.44
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 4/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 2/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
CDK1 P06493 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL28776120 0.86 SMN1; SMN2 (0.45) MAPTKDM4ENPC1RAB9APOLB
SCHEMBL31258510 0.84 KDM4E (0.44) MAPTKDM4ENPC1RAB9APOLB
SCHEMBL27471350 0.83 ALDH1A1 (0.49) MAPTNPC1RAB9ATDP1ABL1
SCHEMBL15451126 0.82 NPC1 (0.47) MAPTKDM4ENPC1RAB9APOLB
SCHEMBL28211396 0.80 KDM4E (0.62) MAPTKDM4ENPC1RAB9APOLB
SCHEMBL15541724 0.79 KDM4E (0.54) MAPTKDM4ENPC1RAB9APOLB
SCHEMBL26132505 0.79 TTBK1 (0.52) MAPTKDM4ENPC1RAB9APOLB
SCHEMBL1787738 0.79 MAPT (0.67) MAPTKDM4ENPC1RAB9APOLB
SCHEMBL9208872 0.79 POLB (0.55) KDM4EPOLBABL1ALDH1A1L3MBTL1
SCHEMBL31633499 0.79 GAA (0.61) MAPTKDM4EPOLBABL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106103414-B Substituted benzamides for arthropod processing 拜耳作物科学股份公司 2019-07-16 CN disclosed
CN-106103414-A The substituted benzamides processed for arthropod 拜耳作物科学股份公司 2016-11-09 CN disclosed
US-20120178726-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2012-07-12 US disclosed
US-20120178726-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2012-07-12 US disclosed
US-20120178726-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2012-07-12 US disclosed
US-8163724-B2 Glucocorticosteroids, processes for their preparation, pharmaceutical compositions containing them and their use in therapy ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-8163724-B2 Glucocorticosteroids, processes for their preparation, pharmaceutical compositions containing them and their use in therapy ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-8163724-B2 Glucocorticosteroids, processes for their preparation, pharmaceutical compositions containing them and their use in therapy ASTRAZENECA AB (SE) 2012-04-24 US disclosed
CN-101883778-A Steroidal [3, 2-C] pyrazole compounds, with glucocorticoid activity ASTRAZENECA AB 2010-11-10 CN disclosed
US-20090286835-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2009-11-19 US disclosed
US-20090286835-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2009-11-19 US disclosed
US-20090286835-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2009-11-19 US disclosed
WO-2009044200-A1 STEROIDAL [3, 2-C] PYRAZOLE COMPOUNDS, WITH GLUCOCORTICOID ACTIVITY ASTRAZENECA AB (SE) 2009-04-09 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-20120178726-A1 NOVEL COMPOUNDS F12, C1R, CXCR4 MAPT 3720/4885KDM4E 1428/4885NPC1 1079/4885
US-20090286835-A1 NOVEL COMPOUNDS F12, C1R, CXCR4 MAPT 3720/4885KDM4E 1428/4885NPC1 1079/4885

“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.