SCHEMBL5407954

SCHEMBL5407954

CCCC(C(N)=O)n1cnc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.51
DNMT3A Q9Y6K1 1/20 0.50
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
APAF1 O14727 1/20 0.44
ASAH1 Q13510 1/20 0.42
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 2/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
GGPS1 O95749 1/20 0.39
FDPS P14324 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
USP5 P45974 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MKNK2 Q9HBH9 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
SCHEMBL4558108 0.90 ASAH1 (0.50) HDAC8DNMT3AHPGDHSD17B10MEN1
SCHEMBL3795625 0.87 HDAC8 (0.55) HDAC8DNMT3AHPGDHSD17B10MEN1
SCHEMBL27846962 0.83 HDAC8 (0.53) HDAC8DNMT3AHPGDHSD17B10MEN1
SCHEMBL3629200 0.78 HDAC8 (0.49) HDAC8DNMT3AHPGDHSD17B10MEN1
SCHEMBL14739451 0.78 HSD17B10 (0.51) HDAC8DNMT3AHPGDHSD17B10MEN1
SCHEMBL11586380 0.78 KMT2A (0.55) HDAC8DNMT3AHPGDHSD17B10MEN1
SCHEMBL668253 0.77 ASAH1 (0.51) HDAC8DNMT3AHPGDHSD17B10MEN1
SCHEMBL16740930 0.77 MEN1 (0.54) HDAC8DNMT3AHPGDHSD17B10MEN1
SCHEMBL28297948 0.77 DNMT3A (0.55) HDAC8DNMT3AHPGDHSD17B10MEN1
SCHEMBL24421919 0.76 MEN1 (0.57) HDAC8DNMT3AHPGDHSD17B10MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 US disclosed
EP-1675844-A1 PHENYL CARBOXAMIDE AND SULFONAMIDE DERIVATIVES FOR USE AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE Sterix Limited (GB) 2006-07-05 EP disclosed
US-20050227987-A1 11beta-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2005-10-13 US disclosed
WO-2005042513-A1 PHENYL CARBOXAMIDE AND SULFONAMIDE DERIVATIVES FOR USE AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE STERIX LIMITED (GB) 2005-05-12 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-20050227987-A1 11beta-hydroxysteroid dehydrogenase inhibitors HSD3B1, HSD3B2, HSD17B3 HDAC8 1066/4885DNMT3A 876/4885HPGD 340/4885

“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.