SCHEMBL21709223

SCHEMBL21709223

CC1(C)c2ccccc2-c2ccc(N(c3nc(-c4ccccc4)c4ccccc4n3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.41
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN9A Q15858 1/20 0.31
ADORA2A P29274 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL21709368 0.89 NUDT1 (0.42) NUDT1MEN1GAAMAPTKMT2A
SCHEMBL21709418 0.88 NUDT1 (0.40) NUDT1MEN1KMT2ASCN9AADORA2A
SCHEMBL21709417 0.87 NUDT1 (0.47) NUDT1MEN1GAAMAPTKMT2A
SCHEMBL21709222 0.87 NUDT1 (0.44) NUDT1MEN1GAAMAPTKMT2A
SCHEMBL21709283 0.87 NUDT1 (0.44) NUDT1MEN1GAAMAPTKMT2A
SCHEMBL21709299 0.85 NUDT1 (0.38) NUDT1
SCHEMBL23605512 0.85 NUDT1 (0.41) NUDT1MEN1KMT2ASCN9AADORA2A
SCHEMBL21709372 0.84 NUDT1 (0.43) NUDT1MEN1GAAMAPTKMT2A
SCHEMBL21709220 0.82 NUDT1 (0.46) NUDT1MEN1GAAMAPTKMT2A
SCHEMBL25797038 0.82 NUDT1 (0.33) NUDT1

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-20200048207-A1 COMPOUNDS WITH ARYLAMINE STRUCTURES MERCK PATENT GMBH (DE) 2020-02-13 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-20200048207-A1 COMPOUNDS WITH ARYLAMINE STRUCTURES DDT, NAT1, INMT NUDT1 15/4885MEN1 2014/4885GAA 770/4885

“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.