SCHEMBL4283322

SCHEMBL4283322

O=C(O)c1cnn2ccnc2c1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
IRAK4 Q9NWZ3 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HTT P42858 1/20 0.39
STING1 Q86WV6 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
NLRP3 Q96P20 1/20 0.36

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
SCHEMBL22857928 0.81 AXL (0.42) HSD11B1KDM4EALDH1A1TDP1IRAK4
SCHEMBL309036 0.79 IRAK4 (0.58) HSD11B1KDM4EALDH1A1IRAK4SMN1; SMN2
SCHEMBL22857991 0.78 STING1 (0.42) HSD11B1KDM4EALDH1A1TDP1IRAK4
SCHEMBL22857984 0.77 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL30152392 0.77 IRAK4 (0.57) HSD11B1KDM4EALDH1A1IRAK4SMN1; SMN2
Hydrochloric Acid SCHEMBL31474423 0.77 IRAK4 (0.57) HSD11B1KDM4EALDH1A1IRAK4SMN1; SMN2
SCHEMBL22857990 0.76 HSD11B1 (0.42) HSD11B1KDM4EALDH1A1IRAK4SMN1; SMN2
SCHEMBL20199464 0.75 GSK3A (0.42) HSD11B1KDM4EALDH1A1TDP1IRAK4
SCHEMBL32679866 0.73 KDM4E (0.50) KDM4EALDH1A1TDP1SMN1; SMN2HSD17B10
SCHEMBL461457 0.70 TGFBR1 (0.42) HSD11B1KDM4EIRAK4SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10251392-B2 Antimicrobial devices and compositions AVENT, INC. (US) 2019-04-09 US disclosed
US-10251392-B2 Antimicrobial devices and compositions AVENT, INC. (US) 2019-04-09 US disclosed
US-20090035342-A1 Antimicrobial Devices and Compositions AVANOS MEDICAL SALES, LLC 2009-02-05 US disclosed
US-20090035342-A1 Antimicrobial Devices and Compositions AVANOS MEDICAL SALES, LLC 2009-02-05 US disclosed
US-20090035342-A1 Antimicrobial Devices and Compositions AVANOS MEDICAL SALES, LLC 2009-02-05 US disclosed
EP-1781098-A2 ANTIMICROBIAL DEVICES AND COMPOSITIONS ACRYMED, INC. (US) 2007-05-09 EP disclosed
WO-2006015317-A2 ANTIMICROBIAL DEVICES AND COMPOSITIONS ACRYMED, INC. (US) 2006-02-09 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-10251392-B2 Antimicrobial devices and compositions AAAS, AOC1, COL14A1 HSD11B1 3551/4885KDM4E 4147/4885ALDH1A1 178/4885
US-20090035342-A1 Antimicrobial Devices and Compositions AAAS, AOC1, COL14A1 HSD11B1 3551/4885KDM4E 4147/4885ALDH1A1 178/4885

“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.