SCHEMBL20520149

SCHEMBL20520149

O=[N+]([O-])C1Oc2ccccc2CC1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
AR P10275 1/20 0.40
CYP19A1 P11511 1/20 0.40
DNMT3B Q9UBC3 1/20 0.38
HSP90AB1 P08238 1/20 0.36
KDM1A O60341 3/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
KCNA4 P22459 1/20 0.34
KCNA1 Q09470 1/20 0.34
KCNAB1 Q14722 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
GABRA1 P14867 1/20 0.33

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
SCHEMBL31561645 0.77 HSP90AB1 (0.42) MAOBKDM4EHSD17B10ADORA3AR
SCHEMBL16376659 0.75 CYP2C19 (0.47) MAOBKDM4EHSD17B10ADORA3AR
SCHEMBL6993376 0.74 P2RY6 (0.41) KDM4EHSD17B10DNMT3BALDH1A1
SCHEMBL28144298 0.74 HPGD (0.40) MAOBKDM4EHSD17B10ADORA3AR
SCHEMBL31561626 0.70 NPSR1 (0.39) KDM4EHSD17B10HSP90AB1HPGDTSHR
SCHEMBL2977413 0.69 KDM4E (0.40) MAOBKDM4EHSD17B10ADORA3AR
SCHEMBL28057067 0.69 MAOB (0.36) MAOBKDM4EHSD17B10ADORA3AR
SCHEMBL27532834 0.68 CYP3A4 (0.49) MAOBADORA3ARCYP19A1HSP90AB1
SCHEMBL403523 0.68 MAOB (0.65) MAOBKDM4EHSD17B10ADORA3AR
SCHEMBL32498549 0.68 MAOB (0.65) MAOBKDM4EHSD17B10ADORA3AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10682359-B2 Inhibitors of glucose kinases, along with methods of their formation and use UNIVERSITY OF SOUTH CAROLINA (US) 2020-06-16 US disclosed
US-20180280404-A1 Inhibitors of Glucose Kinases, Along with Methods of Their Formation and Use UNIVERSITY OF SOUTH CAROLINA 2018-10-04 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-20180280404-A1 Inhibitors of Glucose Kinases, Along with Methods of Their Formation and Use GCK, GCKR, GALK1 MAOB 3334/4885KDM4E 911/4885HSD17B10 2521/4885
US-10682359-B2 Inhibitors of glucose kinases, along with methods of their formation and use GCK, GCKR, GALK1 MAOB 3334/4885KDM4E 911/4885HSD17B10 2521/4885

“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.