SCHEMBL346410

SCHEMBL346410

COC(=O)C(N)COc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
KDM4E B2RXH2 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 5/20 0.47
MAPK1 P28482 3/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
LTA4H P09960 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 1/20 0.41
RAB9A P51151 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
SCHEMBL8239448 1.00 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL21837715 0.84 CYP1A2 (0.55) ALDH1A1MEN1KMT2ALTA4HCYP1A2
SCHEMBL21837716 0.84 CYP1A2 (0.55) ALDH1A1MEN1KMT2ALTA4HCYP1A2
SCHEMBL18127107 0.83 MTNR1A (0.53) KMT2AMAPTLTA4HCYP2D6LMNA
SCHEMBL7749771 0.82 MAPT (0.51) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL19027641 0.82 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL19027644 0.82 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL21991589 0.79 MAPT (0.49) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL13979981 0.78 S1PR1 (0.51) KDM4ESMN1; SMN2CYP1A2CYP2D6
SCHEMBL5283434 0.77 PSEN1 (0.44) ALDH1A1MEN1KMT2AMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
US-8338471-B2 (2,5-dioxoimidazolidin-i-yl)-n-hydroxy-acetamides as metalloproteinase inhibitors MEDIVIR AB (SE) 2012-12-25 US disclosed
US-20120015994-A1 (2,5-DIOXOIMIDAZOLIDIN-I-YL)-N-HYDROXY-ACETAMIDES AS METALLOPROTEINASE INHIBITORS MEDIVIR AB (SE) 2012-01-19 US disclosed
US-8022092-B2 (2,5-dioxoimidazolidin-1-yl)-N-hydroxy-acetamides as metalloproteinase inhibitors MEDIVIR AB (SE) 2011-09-20 US disclosed
US-20090215846-A1 (2,5-DIOXOIMIDAZOLIDIN-I-YL)-N-HYDROXY-ACETAMIDES AS METALLOPROTEINASE INHIBITORS MEDIVIR AB (SE) 2009-08-27 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 (3 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO ALDH1A1 289/4885MEN1 511/4885KMT2A 1886/4885
US-20120015994-A1 (2,5-DIOXOIMIDAZOLIDIN-I-YL)-N-HYDROXY-ACETAMIDES AS METALLOPROTEINASE INHIBITORS MMP12, MMP13, MMP14 ALDH1A1 99/4885MEN1 4708/4885KMT2A 1287/4885
US-20090215846-A1 (2,5-DIOXOIMIDAZOLIDIN-I-YL)-N-HYDROXY-ACETAMIDES AS METALLOPROTEINASE INHIBITORS MMP12, MMP13, MMP14 ALDH1A1 99/4885MEN1 4708/4885KMT2A 1287/4885

“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.