SCHEMBL5101877

SCHEMBL5101877

COc1cc2nc(C=CC(=O)c3ccc(C(=O)N4CCN(C)CC4)cc3)ccc2c(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
APP P05067 1/20 0.45
CYP1A2 P05177 3/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
CYP1A1 P04798 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1B1 Q16678 2/20 0.42
CYP2C8 P10632 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL5096182 0.90 ALDH1A1 (0.42) ALDH1A1L3MBTL1CYP1A2ABCG2CYP1A1
SCHEMBL5093541 0.90 ALDH1A1 (0.42) ALDH1A1L3MBTL1CYP1A2ABCG2CYP1A1
SCHEMBL5096122 0.90 HPGD (0.49) POLBALDH1A1L3MBTL1APPCYP1A2
SCHEMBL5096185 0.90 ALDH1A1 (0.42) ALDH1A1L3MBTL1CYP1A2ABCG2CYP1A1
SCHEMBL5101870 0.85 APP (0.52) POLBALDH1A1L3MBTL1APPCYP1A2
SCHEMBL1384390 0.84 MAPK7 (0.40) ALDH1A1L3MBTL1CYP1A2ABCG2CYP1A1
SCHEMBL1384389 0.84 MAPK7 (0.40) ALDH1A1L3MBTL1CYP1A2ABCG2CYP1A1
SCHEMBL5090146 0.83 ABCG2 (0.50) ALDH1A1L3MBTL1CYP1A2ABCG2CYP1A1
SCHEMBL5090139 0.83 ABCG2 (0.50) ALDH1A1L3MBTL1CYP1A2ABCG2CYP1A1
SCHEMBL1385631 0.80 ABCG2 (0.42) ALDH1A1L3MBTL1CYP1A2ABCG2CYP1A1

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 POLB 2686/4885ALDH1A1 1129/4885L3MBTL1 1433/4885

“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.