SCHEMBL2264466

SCHEMBL2264466

N#CCC(=O)NCc1cc(F)c(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.50
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CHRM4 P08173 1/20 0.35
CYP3A4 P08684 1/20 0.34
DPP4 P27487 1/20 0.34
KCNH2 Q12809 1/20 0.34
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
P2RX7 Q99572 3/20 0.33
DGAT2 Q96PD7 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
SCHEMBL22803046 0.84 MCL1 (0.47) MCL1ERCC1ERCC4HSD17B10ALDH1A1
SCHEMBL2266096 0.83 P2RX7 (0.50) MCL1ERCC1ERCC4P2RX7
SCHEMBL2265012 0.83 MCL1 (0.50) MCL1ERCC1ERCC4CHRM4ALDH1A1
SCHEMBL22803045 0.80 ERCC1 (0.53) MCL1ERCC1ERCC4ALDH1A1P2RX7
SCHEMBL22803094 0.80 MCL1 (0.50) MCL1HSD17B10ALDH1A1GAACYP1A2
SCHEMBL2262540 0.80 MCL1 (0.46) MCL1CHRM4DPP4FAPDPP8
SCHEMBL2266698 0.79 MCL1 (0.61) MCL1HSD17B10ALDH1A1LMNA
SCHEMBL2391525 0.78 MCL1 (0.49) MCL1ERCC1ERCC4P2RX7LMNA
SCHEMBL2263310 0.78 MCL1 (0.51) MCL1P2RX7CA2
SCHEMBL2262960 0.78 MCL1 (0.59) MCL1ALDH1A1GAAP2RX7LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020249821-A1 NOVEL ARGINASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-12-17 WO disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 MCL1 3083/4885ERCC1 2563/4885ERCC4 1899/4885

“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.