SCHEMBL1383235

SCHEMBL1383235

O=C(C=Cc1ccc(C(=O)N2CCNCC2)cc1)c1ccc2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.52
MKNK2 Q9HBH9 3/20 0.51
RIPK1 Q13546 2/20 0.51
BMPR1B O00238 1/20 0.51
PLK4 O00444 1/20 0.51
STK25 O00506 1/20 0.51
CIT O14578 1/20 0.51
RIOK3 O14730 1/20 0.51
CHEK1 O14757 1/20 0.51
IKBKB O14920 1/20 0.51
AURKA O14965 1/20 0.51
GAK O14976 1/20 0.51
DCLK1 O15075 1/20 0.51
CHUK O15111 1/20 0.51
MUSK O15146 1/20 0.51
EPHB6 O15197 1/20 0.51
PDPK1 O15530 1/20 0.51
MAP3K13 O43283 1/20 0.51
DAPK3 O43293 1/20 0.51
MAP3K7 O43318 1/20 0.51

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
SCHEMBL1385625 0.91 ALDH1A1 (0.47) PTK2HDAC6KDM4ETSHRGPR183
SCHEMBL1383374 0.90 HPGD (0.49) PTK2KDM4ETSHRGPR183ALDH1A1
SCHEMBL1382600 0.88 SMN1; SMN2 (0.50) KDM4ETSHRGPR183ALDH1A1SMN1; SMN2
SCHEMBL1383574 0.88 TSHR (0.45) HDAC6KDM4EHSD17B10TSHRGPR183
SCHEMBL1383929 0.88 TSHR (0.51) SCN7AKCNH2KDM4ETSHRGPR183
SCHEMBL1386472 0.88 TSHR (0.47) KDM4ETSHRGPR183ALDH1A1SMN1; SMN2
SCHEMBL1384986 0.85 GRIN2B (0.47) KDM4ETSHRGPR183ALDH1A1SMN1; SMN2
SCHEMBL1383880 0.83 SMN1; SMN2 (0.57) HDAC6KDM4ETSHRALDH1A1SMN1; SMN2
SCHEMBL1385464 0.83 SMN1; SMN2 (0.54) KDM4ETSHRALDH1A1SMN1; SMN2GAA
SCHEMBL1383236 0.83 HPGD (0.48) TSHRGPR183GAAHRH3

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 SIGMAR1 1856/4885MKNK2 1373/4885RIPK1 2316/4885

“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.