SCHEMBL21908577

SCHEMBL21908577

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 9/20 0.38
SMN1; SMN2 Q16637 7/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 6/20 0.35
NPC1 O15118 4/20 0.35
HTT P42858 3/20 0.34
MDM2 Q00987 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL20148188 0.90 L3MBTL1 (0.44) L3MBTL1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL20151074 0.84 GAA (0.36) L3MBTL1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL20151076 0.77 KDM4E (0.33) L3MBTL1MAPTKDM4EALDH1A1GAA
SCHEMBL20150970 0.77 KDM4E (0.33) MAPTKDM4EMEN1KMT2A
SCHEMBL20151073 0.77 MAPT (0.46) MAPTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL20150963 0.76 POLB (0.57) KDM4ELMNAMEN1KMT2AHTT
SCHEMBL20150968 0.75 CTH (0.40) MAPTSMN1; SMN2KDM4ELMNAMEN1
SCHEMBL20150967 0.74 GAA (0.35) L3MBTL1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL20151064 0.74 GAA (0.31) L3MBTL1MAPTKDM4EALDH1A1GAA
SCHEMBL20150971 0.72 CTH (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067860-A1 COMPOSITIONS AND METHODS FOR CARBON DIOXIDE SOLIDIFICATION CHEVRON U.S.A. INC. 2024-02-29 US disclosed
US-10633332-B2 Guanidine compounds for removal of oxyanions from aqueous solutions and for carbon dioxide capture UT-BATTELLE, LLC (US) 2020-04-28 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-10633332-B2 Guanidine compounds for removal of oxyanions from aqueous solutions and for carbon dioxide capture GUCY1A1, GUCY1A2, GUCY1B1 L3MBTL1 2462/4885MAPT 2656/4885SMN1; SMN2 1131/4885

“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.