SCHEMBL5096087

SCHEMBL5096087

COc1cc2nc(C(=O)C=Cc3ccc(C(=O)n4nc(C)cc4C)cc3)ccc2c(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.43
GAA P10253 1/20 0.41
ENPP3 O14638 4/20 0.41
ALPL P05186 4/20 0.41
XIAP P98170 4/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ABCB1 P08183 1/20 0.39
TNFRSF1A P19438 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL5096089 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2ABCG2GAAENPP3
SCHEMBL5101870 0.81 APP (0.52) ALDH1A1ABCG2
SCHEMBL1383268 0.80 ABCG2 (0.43) ALDH1A1ABCG2ABCB1TNFRSF1AMEN1
SCHEMBL1385627 0.80 ABCG2 (0.43) ALDH1A1SMN1; SMN2ABCG2CA1CA2
SCHEMBL5096117 0.80 APP (0.53) ALDH1A1ABCG2MAPTKDM4EKMT2A
SCHEMBL1384115 0.79 ENPP3 (0.56) ALDH1A1SMN1; SMN2ENPP3ALPLXIAP
SCHEMBL5101978 0.71 ENPP3 (0.50) ALDH1A1SMN1; SMN2GAAENPP3ALPL
SCHEMBL18131009 0.70 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2GAAENPP3ALPL
SCHEMBL5093439 0.70 TSHR (0.46) ALDH1A1GAAENPP3ALPLXIAP
SCHEMBL28231525 0.68 ALOX15 (0.54) ALDH1A1GAAKDM4E

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 2 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 claimed
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2008-08-28 US 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 ALDH1A1 1129/4885SMN1; SMN2 315/4885ABCG2 2234/4885

“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.