SCHEMBL1385626

SCHEMBL1385626

O=C(C=Cc1ccc2ccccc2n1)c1ccc(C(=O)N2CCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 4/20 0.67
HDAC6 Q9UBN7 2/20 0.67
KDM4E B2RXH2 5/20 0.53
LMNA P02545 3/20 0.53
MAPT P10636 5/20 0.53
POLB P06746 2/20 0.53
CYSLTR2 Q9NS75 2/20 0.53
CYSLTR1 Q9Y271 2/20 0.53
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50

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
SCHEMBL1383378 0.99 PFKFB3 (0.65) PFKFB3HDAC6KDM4ELMNAMAPT
SCHEMBL5093488 0.90 PFKFB3 (0.62) PFKFB3HDAC6KDM4ELMNAMAPT
SCHEMBL5101824 0.90 PFKFB3 (0.62) PFKFB3HDAC6KDM4ELMNAMAPT
SCHEMBL1383237 0.90 PFKFB3 (0.62) PFKFB3HDAC6KDM4ELMNAMAPT
SCHEMBL1383933 0.90 HDAC6 (0.62) PFKFB3HDAC6KDM4ELMNAMAPT
SCHEMBL1386476 0.90 PFKFB3 (0.62) PFKFB3HDAC6KDM4ELMNAMAPT
SCHEMBL5101820 0.90 PFKFB3 (0.62) PFKFB3HDAC6KDM4ELMNAMAPT
SCHEMBL5101817 0.90 PFKFB3 (0.62) PFKFB3HDAC6KDM4ELMNAMAPT
SCHEMBL1382038 0.89 PFKFB3 (0.57) PFKFB3HDAC6KDM4EALDH1A1MEN1
SCHEMBL1384989 0.87 PFKFB3 (0.59) PFKFB3HDAC6KDM4ELMNAMAPT

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 3003/4885KDM4E 4732/4885

“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.