SCHEMBL10276007

SCHEMBL10276007

CCCN(CCC)S(=O)(=O)c1ccc(C2=N[N+]3(c4ccc(F)cc4F)C(C)=CN=C3C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CA12 O43570 4/20 0.33
CA9 Q16790 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CA2 P00918 1/20 0.33
RAB9A P51151 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
ABCC2 Q92887 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
UGT1A7 Q9HAW7 1/20 0.33
SLC22A11 Q9NSA0 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KAT8 Q9H7Z6 2/20 0.33
ADORA2B P29275 1/20 0.32
CA1 P00915 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 3/20 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
SCHEMBL24162488 0.66 KMT2A (0.74) LMNAMEN1KMT2ACA12CA9
SCHEMBL10276003 0.65 MEN1 (0.38) LMNAMEN1KMT2ACA12CA9
SCHEMBL10275277 0.65 MEN1 (0.38) LMNAMEN1KMT2ACA12CA9
SCHEMBL10275979 0.62 LMNA (0.40) LMNAMEN1KMT2ACA12CA9
SCHEMBL10275515 0.61 RAB9A (0.38) LMNAMEN1KMT2ACA12CA9
SCHEMBL10276061 0.60 LMNA (0.37) LMNAMEN1KMT2ACA12CA9
SCHEMBL30100859 0.60 PTGS2 (0.70) LMNAMEN1KMT2ACA12CA9
Ditolamide SCHEMBL2110790 0.59 CA9 (0.64) LMNAMEN1KMT2ACA12CA9
SCHEMBL24961915 0.57 SMN1; SMN2 (0.50) LMNAMEN1KMT2ACA12CA9
SCHEMBL24162491 0.57 MEN1 (0.62) LMNAMEN1KMT2ACA12CA9

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 LMNA 1504/4885MEN1 4229/4885KMT2A 4649/4885

“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.