SCHEMBL2993886

SCHEMBL2993886

NC(=O)c1ccc(C(=O)N2CCC(O)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.54
GRM5 P41594 1/20 0.50
L3MBTL3 Q96JM7 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
PDK2 Q15119 1/20 0.48
GRM3 Q14832 2/20 0.48
PARP10 Q53GL7 2/20 0.48
GLA P06280 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MBTD1 Q05BQ5 1/20 0.46
TP53BP1 Q12888 1/20 0.46
L3MBTL4 Q8NA19 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PARP14 Q460N5 1/20 0.45

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
SCHEMBL2998894 0.90 GRM3 (0.59) HDAC4L3MBTL3L3MBTL1GRM3PARP10
SCHEMBL3001297 0.90 GRM5 (0.60) GRM5L3MBTL3L3MBTL1GRM3PARP10
SCHEMBL2993890 0.87 MGLL (0.55) HDAC4GRM5L3MBTL3L3MBTL1PDK2
SCHEMBL19144451 0.87 MGLL (0.55) HDAC4GRM5L3MBTL3L3MBTL1PDK2
SCHEMBL10195732 0.83 KMT2A (0.62) HDAC4GRM5L3MBTL3GRM3
SCHEMBL1447833 0.83 MGLL (0.55) HDAC4GRM5L3MBTL3L3MBTL1PDK2
SCHEMBL2825708 0.83 NPC1 (0.62) HDAC4L3MBTL1GAA
SCHEMBL13486885 0.83 KMT2A (0.62) HDAC4GRM5L3MBTL3GRM3
SCHEMBL21590166 0.83 L3MBTL3 (0.59) HDAC4GRM5L3MBTL3L3MBTL1PDK2
SCHEMBL968219 0.83 L3MBTL3 (0.59) HDAC4GRM5L3MBTL3L3MBTL1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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 (2 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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 HDAC4 783/4885GRM5 4379/4885L3MBTL3 4109/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 HDAC4 783/4885GRM5 4379/4885L3MBTL3 4109/4885

“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.