SCHEMBL21940347

SCHEMBL21940347

CNC(=S)N/N=C/C=N/NC(=S)NC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
NPSR1 Q6W5P4 5/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
TNF P01375 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
EPHX1 P07099 1/20 0.36
LMNA P02545 2/20 0.36
TOP2A P11388 1/20 0.36
ALOX12 P18054 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL8221437 0.85 POLB (0.46) KMT2AMEN1NPSR1MAPTKDM4E
SCHEMBL31753526 0.85 POLB (0.46) KMT2AMEN1NPSR1MAPTKDM4E
SCHEMBL15841353 0.83 POLB (0.44) KMT2AMEN1NPSR1MAPTKDM4E
SCHEMBL10621993 0.75
SCHEMBL21761728 0.73 POLB (0.39) KMT2AMEN1NPSR1MAPTKDM4E
SCHEMBL18360210 0.72
SCHEMBL8209943 0.72 ALDH1A1 (0.46) KMT2AMEN1NPSR1MAPTKDM4E
SCHEMBL29448462 0.71 POLB (0.40) KMT2AMEN1NPSR1MAPTKDM4E
SCHEMBL11408342 0.69
SCHEMBL11408346 0.69

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-20200113937-A1 TARGETED IONOPHORE-BASED METAL DELIVERY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-04-16 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-20200113937-A1 TARGETED IONOPHORE-BASED METAL DELIVERY SLC8B1, SLC47A2, ATP2A2 KMT2A 3679/4885MEN1 1322/4885NPSR1 2782/4885

“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.