SCHEMBL1382222

SCHEMBL1382222

O=C(Nc1ccc(C(=O)O)cc1)Nc1ccc(C(=O)C=Cc2cc(N3CCCCC3)c3ccccc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
ADORA3 P0DMS8 1/20 0.46
NCF1 P14598 2/20 0.42
METAP1 P53582 1/20 0.42
PIK3CA P42336 3/20 0.42
MTOR P42345 3/20 0.42
PIK3R1 P27986 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
MOK Q9UQ07 1/20 0.41
PIK3CG P48736 1/20 0.40
CNR1 P21554 1/20 0.40
CSF1R P07333 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
SCHEMBL5095711 1.00 BCHE (0.48) BCHEACHEADORA3NCF1METAP1
SCHEMBL5096010 0.91 BCHE (0.50) BCHEACHEADORA3NCF1METAP1
SCHEMBL5096014 0.91 BCHE (0.50) BCHEACHEADORA3NCF1METAP1
SCHEMBL5090197 0.91 MTOR (0.53) PIK3CAMTORPIK3R1KDM4EMOK
SCHEMBL5090188 0.91 MTOR (0.53) PIK3CAMTORPIK3R1KDM4EMOK
SCHEMBL5101856 0.85 RAB9A (0.55) BCHEACHENCF1METAP1KDM4E
SCHEMBL1385466 0.85 RAB9A (0.55) BCHEACHENCF1METAP1KDM4E
SCHEMBL1382971 0.83 BCHE (0.47) BCHEACHENCF1MOK
SCHEMBL5090243 0.83 BCHE (0.47) BCHEACHENCF1MOK
SCHEMBL1383511 0.82 GAA (0.52) PIK3CAMTORPIK3R1KDM4EMOK

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 BCHE 4257/4885ACHE 3410/4885ADORA3 3974/4885

“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.