SCHEMBL6934749

SCHEMBL6934749

NC(=O)c1nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[nH]c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UMPS P11172 1/20 0.48
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
BLM P54132 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.47
GMNN O75496 1/20 0.47
LMNA P02545 1/20 0.47
PMP22 Q01453 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
STAT6 P42226 1/20 0.47
HIF1A Q16665 1/20 0.47
PYGL P06737 6/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 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
SCHEMBL164884 1.00 UMPS (0.48) UMPSKDM4EMAPTBLMSMN1; SMN2
SCHEMBL7893929 0.86 UMPS (0.54) UMPSKDM4EMAPTBLMSMN1; SMN2
SCHEMBL3810818 0.85 KDM4E (0.44) UMPSKDM4EMAPTBLMSMN1; SMN2
SCHEMBL30669424 0.83 KDM4E (0.42) UMPSKDM4EMAPTBLMSMN1; SMN2
SCHEMBL1980709 0.82 UMPS (0.44) UMPSKDM4EMAPTBLMSMN1; SMN2
SCHEMBL27596793 0.82 UMPS (0.44) UMPSKDM4EMAPTBLMSMN1; SMN2
SCHEMBL5547964 0.82 UMPS (0.54) UMPS
SCHEMBL218016 0.81 UMPS (0.54) UMPSKDM4EMAPTBLMSMN1; SMN2
SCHEMBL8493435 0.80 ADORA2A (0.34) UMPSKDM4EMAPTBLMSMN1; SMN2
SCHEMBL8498082 0.80 ADORA2A (0.36) UMPSKDM4EMAPTBLMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180289731-A1 Patient Treatment Via Teratogenic Pharmaceutical Compounds NANT HOLDINGS IP, LLC 2018-10-11 US claimed
US-20140186306-A1 NOVEL AMPK AGONIST COMPOSITIONS AND METHODS OF USE PLANTE PAUL RONALD (US) 2014-07-03 US disclosed
EP-1370539-A1 HIV INHIBITING N-AMINOIMIDAZOLE DERIVATIVES K.U. Leuven Research and Development (BE) 2003-12-17 EP disclosed
WO-2002068395-A1 HIV INHIBITING N-AMINOIMIDAZOLE DERIVATIVES K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2002-09-06 WO disclosed
WO-1992003122-A1 PREPARATION FOR APPLICATION OF ACTIVE SUBSTANCES IN THE FORM OF MINIMUM-SIZED DROPLETS CEVC GREGOR (DE) 1992-03-05 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-20140186306-A1 NOVEL AMPK AGONIST COMPOSITIONS AND METHODS OF USE ADIPOR1, PRKAR2A, COL2A1 UMPS 1599/4885KDM4E 1797/4885MAPT 843/4885

“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.