SCHEMBL587429

SCHEMBL587429

Brc1cnc(C2CCC2)nc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL12791705 0.95 L3MBTL1 (0.34) HDAC4ALDH1A1L3MBTL1POLBCASP3
SCHEMBL16662276 0.93 L3MBTL1 (0.37) HDAC4ALDH1A1L3MBTL1POLBCASP3
SCHEMBL587475 0.90 HDAC4 (0.38) HDAC4KDM4E
SCHEMBL19582822 0.80 OPRL1 (0.41)
SCHEMBL31127615 0.80 HRH3 (0.41)
SCHEMBL24755952 0.76 TDO2 (0.36) HDAC4L3MBTL1KDM4E
SCHEMBL12457538 0.76 MAPK1 (0.37) L3MBTL1
SCHEMBL11227546 0.76 ESR2 (0.35) HDAC4L3MBTL1KDM4E
SCHEMBL2677934 0.76 CHRNB4 (0.40) KDM4E
SCHEMBL23388445 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021144287-A1 3-BENZOYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS MKK4 INHIBITORS FOR TREATING LIVER DISEASES HEPAREGENIX GMBH (DE) 2021-07-22 WO disclosed
EP-3080113-B1 FUSED TRICYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-09-18 EP disclosed
US-10087179-B2 Fused tricyclic imidazole derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-10-02 US disclosed
US-20160376268-A1 Fused Tricyclic Imidazole Derivatives As Modulators of TNF Activity SANOFI (FR) 2016-12-29 US disclosed
EP-3080113-A1 FUSED TRICYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2016-10-19 EP disclosed
CN-105814049-A Fused tricyclic imidazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed
WO-2015086526-A1 FUSED TRICYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed
EP-1831199-B1 MMP inhibitors ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
US-20100256166-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-07 US disclosed
US-7655664-B2 Hydantoin derivatives as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-02 US disclosed
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 US disclosed
CN-101119987-A Novel compounds ASTRAZENECA AB GABOS BALINT (SE) 2008-02-06 CN disclosed
EP-1831199-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065215-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2006-06-22 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 (4 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-20160376268-A1 Fused Tricyclic Imidazole Derivatives As Modulators of TNF Activity TNF, TNFRSF1A, NFKBIA HDAC4 611/4885ALDH1A1 1999/4885L3MBTL1 2749/4885
US-20100256166-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 HDAC4 463/4885ALDH1A1 169/4885L3MBTL1 3397/4885
US-10087179-B2 Fused tricyclic imidazole derivatives as modulators of TNF activity TNF, TNFRSF1A, NFKBIA HDAC4 611/4885ALDH1A1 1999/4885L3MBTL1 2749/4885
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 HDAC4 463/4885ALDH1A1 169/4885L3MBTL1 3397/4885

“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.