SCHEMBL1386472

SCHEMBL1386472

CC(=O)N1CCN(C(=O)c2ccc(C=CC(=O)c3ccc4ccccc4n3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
GPR183 P32249 4/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 1/20 0.44
FASN P49327 1/20 0.43
HTT P42858 1/20 0.42
GRIN2B Q13224 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
MITF O75030 1/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CNR2 P34972 1/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL1383929 0.91 TSHR (0.51) TSHRGPR183ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1385625 0.90 ALDH1A1 (0.47) TSHRGPR183ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1383374 0.89 HPGD (0.49) TSHRGPR183ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1384986 0.89 GRIN2B (0.47) TSHRGPR183ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1383235 0.88 SIGMAR1 (0.52) TSHRGPR183ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1382600 0.87 SMN1; SMN2 (0.50) TSHRGPR183ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1383574 0.87 TSHR (0.45) TSHRGPR183ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1385464 0.85 SMN1; SMN2 (0.54) TSHRALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL1383236 0.85 HPGD (0.48) TSHRGPR183GAAAPP
SCHEMBL1383880 0.85 SMN1; SMN2 (0.57) TSHRALDH1A1SMN1; SMN2KDM4EGAA

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 TSHR 3086/4885GPR183 2865/4885ALDH1A1 1129/4885

“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.