SCHEMBL2264097

SCHEMBL2264097

N#CCC(=O)NCc1cccc(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.54
P2RX7 Q99572 4/20 0.46
MAOB P27338 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
RIPK1 Q13546 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL2266698 0.88 MCL1 (0.61) MCL1SMN1; SMN2HPGDALDH1A1MEN1
SCHEMBL2263310 0.86 MCL1 (0.51) MCL1P2RX7
SCHEMBL22803047 0.83 MCL1 (0.58) MCL1P2RX7SMN1; SMN2ALDH1A1MEN1
SCHEMBL2262540 0.79 MCL1 (0.46) MCL1P2RX7ALDH1A1LMNARIPK1
SCHEMBL22803091 0.78 MCL1 (0.53) MCL1P2RX7SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL14944116 0.78 MCL1 (0.61) MCL1SMN1; SMN2HPGDALDH1A1MEN1
SCHEMBL3558621 0.77 P2RX7 (0.51) P2RX7MAOBSMN1; SMN2HPGDALDH1A1
SCHEMBL22803046 0.77 MCL1 (0.47) MCL1P2RX7ALDH1A1KDM4EHSD17B10
SCHEMBL2264466 0.76 MCL1 (0.50) MCL1P2RX7ALDH1A1LMNAHSD17B10
SCHEMBL2265012 0.76 MCL1 (0.50) MCL1P2RX7ALDH1A1LMNARAB9A

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 3083/4885P2RX7 441/4885MAOB 1238/4885

“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.