SCHEMBL18211463

SCHEMBL18211463

CCc1ccc(N2C(=O)N=NC2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.62
GAA P10253 1/20 0.54
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
APOBEC3G Q9HC16 1/20 0.42
FAAH O00519 2/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HCAR1 Q9BXC0 1/20 0.40

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
SCHEMBL13820062 0.84 MGLL (0.65) MGLLGAAFAAHL3MBTL1
SCHEMBL9492443 0.83 MGLL (0.59) MGLLGAAALDH1A1TDP1HPGD
SCHEMBL30110715 0.79 GAA (0.54) MGLLGAATDP1FAAH
SCHEMBL22440450 0.79 GAA (0.48) MGLLGAAALDH1A1FAAH
SCHEMBL26497802 0.79 GAA (0.48) MGLLGAAALDH1A1KDM4ETDP1
SCHEMBL23964453 0.79 GAA (0.48) MGLLGAAALDH1A1KDM4ETDP1
SCHEMBL112959 0.77 MGLL (1.00) MGLLALDH1A1TDP1HPGDFAAH
SCHEMBL12631701 0.76 ELANE (0.62) MGLLGAAALDH1A1POLBMAPT
SCHEMBL370333 0.75 MGLL (0.62) MGLLGAAALDH1A1KDM4ETDP1
SCHEMBL22440460 0.75 MEN1 (0.60) GAAALDH1A1KDM4ETDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-11-10 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 (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-20160326194-A1 IONIC LIQUID SUPPORTED ORGANOTIN REAGENTS FOR THE MANUFACTURING OF RADIOPHARMACEUTICALS COMPOUNDS KIT, NISCH, FLT3 MGLL 359/4885GAA 2834/4885ALDH1A1 989/4885

“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.