SCHEMBL5096010

SCHEMBL5096010

O=C(O)Nc1ccc(C(=O)/C=C/c2cc(N3CCCCC3)c3ccccc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
NCF1 P14598 2/20 0.47
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MOK Q9UQ07 1/20 0.43
ADORA3 P0DMS8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
METAP1 P53582 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 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
SCHEMBL5096014 1.00 BCHE (0.50) BCHEACHENCF1KDM4EL3MBTL1
SCHEMBL5095711 0.91 BCHE (0.48) BCHEACHENCF1KDM4EL3MBTL1
SCHEMBL1382222 0.91 BCHE (0.48) BCHEACHENCF1KDM4EL3MBTL1
SCHEMBL1385196 0.90 MOK (0.55) NCF1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL1385200 0.90 MOK (0.55) NCF1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL1385466 0.89 RAB9A (0.55) BCHEACHENCF1KDM4EMEN1
SCHEMBL5101856 0.89 RAB9A (0.55) BCHEACHENCF1KDM4EMEN1
Thiophene SCHEMBL5496485 0.85 MOK (0.52) NCF1KDM4EL3MBTL1MEN1KMT2A
Thiophene SCHEMBL5496494 0.85 MOK (0.52) NCF1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL1382971 0.85 BCHE (0.47) BCHEACHENCF1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3410/4885NCF1 2333/4885

“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.