SCHEMBL1386476

SCHEMBL1386476

CC(=O)N1CCN(C(=O)c2ccc(C(=O)C=Cc3ccc4ccccc4n3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 6/20 0.62
HDAC6 Q9UBN7 2/20 0.62
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 4/20 0.55
LMNA P02545 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 1/20 0.55
POLB P06746 2/20 0.54
MITF O75030 1/20 0.54
RECQL P46063 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPK1 P28482 1/20 0.53
CYSLTR2 Q9NS75 2/20 0.50
CYSLTR1 Q9Y271 2/20 0.50
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 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
SCHEMBL1383933 0.91 HDAC6 (0.62) PFKFB3HDAC6MAPTSMN1; SMN2ALDH1A1
SCHEMBL1385626 0.90 PFKFB3 (0.67) PFKFB3HDAC6MAPTSMN1; SMN2ALDH1A1
SCHEMBL1383378 0.88 PFKFB3 (0.65) PFKFB3HDAC6MAPTSMN1; SMN2ALDH1A1
SCHEMBL1384989 0.88 PFKFB3 (0.59) PFKFB3HDAC6MAPTSMN1; SMN2ALDH1A1
SCHEMBL5101820 0.86 PFKFB3 (0.62) PFKFB3HDAC6MAPTSMN1; SMN2ALDH1A1
SCHEMBL5093488 0.86 PFKFB3 (0.62) PFKFB3HDAC6MAPTSMN1; SMN2ALDH1A1
SCHEMBL5101824 0.86 PFKFB3 (0.62) PFKFB3HDAC6MAPTSMN1; SMN2ALDH1A1
SCHEMBL1383237 0.86 PFKFB3 (0.62) PFKFB3HDAC6MAPTSMN1; SMN2ALDH1A1
SCHEMBL5101817 0.86 PFKFB3 (0.62) PFKFB3HDAC6MAPTSMN1; SMN2ALDH1A1
SCHEMBL1383238 0.84 PFKFB3 (0.57) PFKFB3HDAC6MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4790704-B2 2011-10-12 JP claimed
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2008-08-28 US claimed
EP-1748987-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS Torrent Pharmaceuticals Ltd (IN) 2007-02-07 EP claimed
WO-2005097746-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS TORRENT PHARMACEUTICALS LTD (IN) 2005-10-20 WO claimed
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2008-08-28 US disclosed
EP-1748987-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS Torrent Pharmaceuticals Ltd (IN) 2007-02-07 EP disclosed
WO-2005097746-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS TORRENT PHARMACEUTICALS LTD (IN) 2005-10-20 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-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers HSPB1, HSF1, HSPE1 PFKFB3 3216/4885HDAC6 3003/4885MAPT 71/4885

“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.