SCHEMBL2263988

SCHEMBL2263988

N#CCC(=O)NCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.74
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 2/20 0.54
MAPK14 Q16539 4/20 0.53
KMT2A Q03164 3/20 0.51
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
HTT P42858 1/20 0.50
MMP13 P45452 1/20 0.50
NPC1 O15118 1/20 0.50
RECQL P46063 2/20 0.49
TSHR P16473 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47
FFAR1 O14842 2/20 0.47
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL654148 0.86 MCL1 (1.00) MCL1HPGDKMT2ALMNAHTT
SCHEMBL22803077 0.85 MCL1 (0.73) MCL1HPGDKMT2ALMNARECQL
SCHEMBL11253671 0.84 MCL1 (0.96) MCL1HPGDKMT2ALMNAHTT
SCHEMBL2263308 0.83 MCL1 (0.81) MCL1SMN1; SMN2KMT2ALMNAMMP13
SCHEMBL6317352 0.82 MCL1 (0.64) MCL1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL7025629 0.82 MCL1 (0.64) MCL1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL20767426 0.80 MCL1 (0.51) MCL1SMN1; SMN2HPGDMAPK14KMT2A
SCHEMBL10133183 0.80 NPC1 (0.75) HPGDMAPK14KMT2ALMNANPC1
SCHEMBL13192876 0.80 HPGD (0.62) SMN1; SMN2HPGDMAPK14KMT2ALMNA
SCHEMBL13192880 0.80 RNF4 (0.62) SMN1; SMN2HPGDMAPK14KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3083/4885SMN1; SMN2 4327/4885HPGD 374/4885

“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.