SCHEMBL17580969

SCHEMBL17580969

O=C(O)CCn1c(=O)cnc2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.73
ALDH1A1 P00352 8/20 0.73
HPGD P15428 1/20 0.73
HSD17B10 Q99714 3/20 0.58
EGLN3 Q9H6Z9 1/20 0.57
LMNA P02545 2/20 0.56
KMT2A Q03164 1/20 0.56
TSHR P16473 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
HTT P42858 1/20 0.53
FABP3 P05413 1/20 0.53
FABP4 P15090 1/20 0.53
FABP5 Q01469 1/20 0.53
HCRTR1 O43613 1/20 0.52
APEX1 P27695 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL3282772 0.84 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL9650199 0.83 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL28357168 0.81 ALDH1A1 (0.63) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL29489100 0.81 ALDH1A1 (0.63) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL30343301 0.80 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11455551 0.80 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL29688785 0.79 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9368516 0.79 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL3403656 0.78 KMO (0.57) KDM4EALDH1A1HPGD
SCHEMBL30996109 0.78 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10LMNA

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-20160090383-A1 ANTIBACTERIAL PHTHALIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-03-31 US disclosed
EP-2994466-A1 ANTIBACTERIAL PHTHALIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2016-03-16 EP 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-20160090383-A1 ANTIBACTERIAL PHTHALIDE DERIVATIVES MRPL21, MAPRE1, HDAC6 KDM4E 1799/4885ALDH1A1 771/4885HPGD 2108/4885

“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.