SCHEMBL5096089

SCHEMBL5096089

COc1cc2nc(C=CC(=O)c3ccc(C(=O)n4nc(C)cc4C)cc3)ccc2c(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.43
ENPP3 O14638 4/20 0.42
ALPL P05186 4/20 0.42
XIAP P98170 4/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KRAS P01116 4/20 0.40
APP P05067 1/20 0.39
BCHE P06276 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
MAOB P27338 1/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1B1 Q16678 2/20 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
SCHEMBL5096087 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GAAENPP3ALPL
SCHEMBL5090139 0.82 ABCG2 (0.50) ALDH1A1SMN1; SMN2CA1CA2ABCG2
SCHEMBL5090146 0.82 ABCG2 (0.50) ALDH1A1SMN1; SMN2CA1CA2ABCG2
SCHEMBL5101877 0.80 POLB (0.49) ALDH1A1SMN1; SMN2CA1CA2ABCG2
SCHEMBL5096182 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2CA1CA2ABCG2
SCHEMBL1385631 0.80 ABCG2 (0.42) ALDH1A1SMN1; SMN2CA1CA2ABCG2
SCHEMBL5096122 0.80 HPGD (0.49) ALDH1A1ABCG2KDM4EAPPCYP1A1
SCHEMBL5096185 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2CA1CA2ABCG2
SCHEMBL5093541 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2CA1CA2ABCG2
SCHEMBL1384116 0.78 ENPP3 (0.58) ALDH1A1SMN1; SMN2ENPP3ALPLXIAP

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 315/4885GAA 2564/4885

“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.