SCHEMBL3792155

SCHEMBL3792155

CN(CC(=O)O)C(=O)c1cccc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
PTPN1 P18031 1/20 0.47
CDC25B P30305 1/20 0.47
PLK1 P53350 1/20 0.47
PIN1 Q13526 1/20 0.47
TDP1 Q9NUW8 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GMNN O75496 2/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 2/20 0.45
BLM P54132 2/20 0.45

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
SCHEMBL31060098 1.00 NR4A1 (0.53) NR4A1NR4A2NR4A3PTPN1CDC25B
SCHEMBL10390869 0.84 AKR1B10 (0.56) NR4A1NR4A2NR4A3PTPN1CDC25B
SCHEMBL18652132 0.83 NR4A1 (0.52) NR4A1NR4A2NR4A3PTPN1CDC25B
SCHEMBL15849622 0.82 NR4A1 (0.50) NR4A1NR4A2NR4A3PTPN1CDC25B
SCHEMBL10391314 0.81 HPGD (0.50) PIN1TDP1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6927453 0.80 NR4A1 (0.49) NR4A1NR4A2NR4A3PTPN1CDC25B
SCHEMBL18650130 0.79 NR4A1 (0.47) NR4A1NR4A2NR4A3PTPN1CDC25B
SCHEMBL9716639 0.79 NR4A1 (0.51) NR4A1NR4A2NR4A3PTPN1CDC25B
SCHEMBL10407111 0.79 NR4A1 (0.59) NR4A1NR4A2NR4A3PTPN1CDC25B
SCHEMBL20366867 0.78 KMT2A (0.68) PIN1TDP1MEN1KMT2AALDH1A1

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-8791299-B2 Compounds for the inhibition of herpes viruses UNIVERSITE LAVAL (CA) 2014-07-29 US disclosed
US-20120157538-A1 Compounds for the Inhibition of Herpes Viruses UNIVERSITE LAVAL (CA) 2012-06-21 US disclosed
WO-2010132992-A1 COMPOUNDS FOR THE INHIBITION OF HERPESVIRUSES UNIVERSITé LAVAL (CA) 2010-11-25 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-20120157538-A1 Compounds for the Inhibition of Herpes Viruses NOS3, NOS1, DNA2 NR4A1 403/4885NR4A2 376/4885NR4A3 209/4885

“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.