SCHEMBL1385631

SCHEMBL1385631

COc1cc2nc(C=CC(=O)c3ccc(C(=O)n4cccn4)cc3)ccc2c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.42
CYP1A1 P04798 4/20 0.41
CYP1A2 P05177 4/20 0.41
CYP1B1 Q16678 4/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C8 P10632 1/20 0.41
PTPN1 P18031 2/20 0.41
KRAS P01116 5/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
ABCB1 P08183 3/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 1/20 0.38
TNFRSF1A P19438 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PFKFB3 Q16875 1/20 0.38

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
SCHEMBL1385627 0.85 ABCG2 (0.43) ABCG2CYP1A1CYP1A2CYP1B1CYP2D6
SCHEMBL5090139 0.82 ABCG2 (0.50) ABCG2CYP1A1CYP1A2CYP1B1CYP2D6
SCHEMBL5090146 0.82 ABCG2 (0.50) ABCG2CYP1A1CYP1A2CYP1B1CYP2D6
SCHEMBL5101877 0.80 POLB (0.49) ABCG2CYP1A1CYP1A2CYP1B1CYP2D6
SCHEMBL5093541 0.80 ALDH1A1 (0.42) ABCG2CYP1A1CYP1A2CYP1B1CYP2D6
SCHEMBL5096089 0.80 ALDH1A1 (0.48) ABCG2CYP1A1CYP1A2CYP1B1CYP2D6
SCHEMBL5096182 0.80 ALDH1A1 (0.42) ABCG2CYP1A1CYP1A2CYP1B1CYP2D6
SCHEMBL5096122 0.80 HPGD (0.49) ABCG2CYP1A1CYP1A2CYP1B1CYP2D6
SCHEMBL5096185 0.80 ALDH1A1 (0.42) ABCG2CYP1A1CYP1A2CYP1B1CYP2D6
SCHEMBL5095705 0.77 PFKFB3 (0.64) CYP1A2ALDH1A1SMN1; SMN2L3MBTL1MEN1

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 ABCG2 2234/4885CYP1A1 1040/4885CYP1A2 801/4885

“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.