SCHEMBL1491077

SCHEMBL1491077

CCOC(=O)CCC(=O)Nc1cccc(C)c1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.70
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
POLB P06746 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
HSD17B10 Q99714 1/20 0.56
GAA P10253 2/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 2/20 0.52

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
SCHEMBL13737183 0.88 POLB (0.69) NLRP3HDAC3HDAC4HDAC1HDAC7
SCHEMBL31146115 0.83 MAPT (0.53) NLRP3HDAC3HDAC4HDAC1HDAC7
SCHEMBL28824437 0.83 HDAC3 (0.69) NLRP3HDAC3HDAC4HDAC1HDAC7
SCHEMBL13735420 0.81 SMN1; SMN2 (0.72) NLRP3HDAC3HDAC4HDAC1HDAC7
SCHEMBL9830253 0.81 NLRP3 (0.59) NLRP3HDAC3HDAC4HDAC1HDAC7
SCHEMBL1955909 0.80 NLRP3 (0.80) NLRP3HDAC3HDAC4HDAC1HDAC7
SCHEMBL10436820 0.79 HDAC3 (0.64) NLRP3HDAC3HDAC4HDAC1HDAC7
SCHEMBL27153134 0.78 HDAC3 (0.68) NLRP3HDAC3HDAC4HDAC1HDAC7
SCHEMBL30893025 0.78 HDAC3 (0.68) NLRP3HDAC3HDAC4HDAC1HDAC7
SCHEMBL4863213 0.78 KDM4E (0.68) TDP1ALDH1A1HSD17B10HTTSMN1; SMN2

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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US disclosed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP disclosed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 WO 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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R NLRP3 598/4885HDAC3 278/4885HDAC4 494/4885

“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.