SCHEMBL16202093

SCHEMBL16202093

Cc1nn2c(C(C)C)cc(C(C)C)nc2c1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 4/20 0.37
HSP90AA1 P07900 1/20 0.36
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PDE2A O00408 1/20 0.32

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
SCHEMBL25467673 0.85 KDM4E (0.36) KDM4EMAPTHPGDHSD17B10MAPK1
SCHEMBL25465766 0.75 KDM4E (0.33) KDM4EMAPTHPGDHSD17B10MAPK1
SCHEMBL24470101 0.70 PDE2A (0.38) ALDH1A1NOS3NOS1NOS2PDE2A
SCHEMBL22972561 0.68 KDM4E (0.42) KDM4EMAPTHPGDHSD17B10MAPK1
SCHEMBL546527 0.68 PDE2A (0.40) KDM4EMAPTHPGDHSD17B10MAPK1
SCHEMBL12415261 0.65 ALDH1A1 (0.49) KDM4EMAPTHPGDHSD17B10ALDH1A1
SCHEMBL25315788 0.65 HPGD (0.39) KDM4EMAPTHPGDHSD17B10MAPK1
SCHEMBL13134040 0.64 KDM4E (0.51) KDM4EMAPTHPGDHSD17B10MAPK1
SCHEMBL22521029 0.64 KDM4E (0.65) KDM4EMAPTHPGDHSD17B10MAPK1
SCHEMBL27122276 0.63 CCNT1 (0.54)

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-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2016-09-01 US disclosed
US-9271501-B2 Use of strobilurin type compounds for combating phytopathogenic fungi resistant to QO inhibitors BASF SE (DE) 2016-03-01 US disclosed
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2014-10-30 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-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB KDM4E 3206/4885MAPT 2644/4885HPGD 1585/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB KDM4E 3206/4885MAPT 2644/4885HPGD 1585/4885

“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.