SCHEMBL1383574

SCHEMBL1383574

O=C(C=Cc1ccc(C(=O)N2CCSCC2)cc1)c1ccc2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
GPR183 P32249 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
CYSLTR2 Q9NS75 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41
FASN P49327 1/20 0.41
CNR2 P34972 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
PFKFB3 Q16875 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40

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 0.90 ALDH1A1 (0.47) TSHRGPR183ALDH1A1HPGDKDM4E
SCHEMBL1383374 0.89 HPGD (0.49) TSHRGPR183ALDH1A1HPGDKDM4E
SCHEMBL1383235 0.88 SIGMAR1 (0.52) TSHRGPR183ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1383929 0.87 TSHR (0.51) TSHRGPR183ALDH1A1HPGDKDM4E
SCHEMBL1382600 0.87 SMN1; SMN2 (0.50) TSHRGPR183ALDH1A1HPGDKDM4E
SCHEMBL1386472 0.87 TSHR (0.47) TSHRGPR183ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1384984 0.86 PTK2 (0.50) GPR183ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1384986 0.84 GRIN2B (0.47) TSHRGPR183ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1383880 0.83 SMN1; SMN2 (0.57) TSHRALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL1382035 0.83 L3MBTL3 (0.56) ALDH1A1KDM4E

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.