SCHEMBL2263103

SCHEMBL2263103

N#CCC(=O)Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.63
JAK3 P52333 1/20 0.63
MGLL Q99685 2/20 0.60
HTT P42858 1/20 0.58
HSD17B10 Q99714 1/20 0.58
HDAC6 Q9UBN7 6/20 0.57
HDAC1 Q13547 5/20 0.57
HDAC3 O15379 3/20 0.56
HDAC4 P56524 3/20 0.56
HDAC7 Q8WUI4 3/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC10 Q969S8 3/20 0.56
HDAC11 Q96DB2 3/20 0.56
HDAC8 Q9BY41 3/20 0.56
HDAC9 Q9UKV0 3/20 0.56
HDAC5 Q9UQL6 3/20 0.56
CFD P00746 1/20 0.52
POLB P06746 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL2265546 0.85 SMN1; SMN2 (0.62) JAK2JAK3HTTHSD17B10HDAC6
SCHEMBL1260216 0.85 SMN1; SMN2 (0.62) JAK2JAK3HTTHSD17B10HDAC6
SCHEMBL11250189 0.83 SMN1; SMN2 (0.60) JAK2JAK3HTTHSD17B10HDAC6
SCHEMBL8650426 0.81 HTT (0.61) JAK2JAK3HTTHSD17B10CYP1A2
SCHEMBL16201549 0.80 MGLL (0.68) MGLLHDAC6HDAC1HDAC3HDAC4
SCHEMBL13476524 0.80 MGLL (0.68) MGLLHDAC6HDAC1HDAC3HDAC4
SCHEMBL8623425 0.79 HSD17B10 (0.63) HTTHSD17B10HDAC6HDAC1HDAC3
SCHEMBL11421956 0.79 HTT (0.59) JAK2JAK3HTTHSD17B10HDAC6
SCHEMBL8996041 0.79 MAPT (0.59) JAK2JAK3HTTHSD17B10CYP1A2
SCHEMBL14517868 0.79 HSD17B10 (0.59) JAK2JAK3HTTHSD17B10CYP1A2

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 JAK2 4324/4885JAK3 4449/4885MGLL 1698/4885

“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.