SCHEMBL20151074

SCHEMBL20151074

N=CN/N=C/c1ccc(/C=N/NC=N)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
RAB9A P51151 11/20 0.35
NPC1 O15118 9/20 0.35
MAPT P10636 8/20 0.35
SMN1; SMN2 Q16637 7/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 2/20 0.32
LMNA P02545 2/20 0.32
MDM2 Q00987 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL14129040 0.53 MAPT (0.44) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL3158483 0.50
SCHEMBL3082401 0.30 ALDH1A1 (0.58) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL28417350 0.30 ALDH1A1 (0.58) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL31184703 0.30 ALDH1A1 (0.58) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL32688091 0.26
SCHEMBL10066089 0.26
SCHEMBL15388925 0.26
SCHEMBL11334 0.26
SCHEMBL12532473 0.26

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-20180134655-A1 GUANIDINE COMPOUNDS FOR REMOVAL OF OXYANIONS FROM AQUEOUS SOLUTIONS AND FOR CARBON DIOXIDE CAPTURE U.S. DEPARTMENT OF ENERGY 2018-05-17 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-20180134655-A1 GUANIDINE COMPOUNDS FOR REMOVAL OF OXYANIONS FROM AQUEOUS SOLUTIONS AND FOR CARBON DIOXIDE CAPTURE GUCY1A1, GUCY1A2, GUCY1B1 GAA 655/4885MEN1 2833/4885KMT2A 3715/4885

“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.