SCHEMBL17044490

SCHEMBL17044490

N=C(N)NN=Cc1ccc(O)c(O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.65
GAA P10253 5/20 0.65
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
ALPL P05186 3/20 0.65
ALPI P09923 3/20 0.65
ALPG P10696 3/20 0.65
BLM P54132 2/20 0.65
NOX4 Q9NPH5 1/20 0.65
ATM Q13315 1/20 0.65
TAAR1 Q96RJ0 1/20 0.65
SAE1 Q9UBE0 1/20 0.65
UBA2 Q9UBT2 1/20 0.65
GFER P55789 3/20 0.55
NTRK1 P04629 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.53
DNM1 Q05193 2/20 0.50
ECE2 P0DPD6 1/20 0.50
ECE1 P42892 1/20 0.50
MUS81 Q96NY9 1/20 0.50

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
SCHEMBL17044488 1.00 POLB (0.65) POLBGAAMEN1KMT2AALPL
Hydrochloric Acid SCHEMBL5703116 0.98 GAA (0.63) POLBGAAMEN1KMT2AALPL
Hydrochloric Acid SCHEMBL5703113 0.98 GAA (0.63) POLBGAAMEN1KMT2AALPL
SCHEMBL6744304 0.87 KDM4E (0.50) POLBGAAMEN1KMT2AALPL
SCHEMBL6744311 0.87 KDM4E (0.50) POLBGAAMEN1KMT2AALPL
SCHEMBL16224320 0.86 GAA (0.69) POLBGAAMEN1KMT2AALPL
SCHEMBL16993680 0.85 POLB (0.47) POLBGAAMEN1KMT2AALPL
SCHEMBL1520583 0.85 POLB (0.47) POLBGAAMEN1KMT2AALPL
SCHEMBL16993681 0.85 POLB (0.47) POLBGAAMEN1KMT2AALPL
Hydrochloric Acid SCHEMBL17560864 0.84 GAA (0.67) POLBGAAMEN1KMT2AALPL

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-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-03 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-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 POLB 2406/4885GAA 3164/4885MEN1 2524/4885

“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.