SCHEMBL2122997

SCHEMBL2122997

CC(=O)Oc1c(Br)c[c]cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
PREP P48147 3/20 0.36
CELA1 Q9UNI1 2/20 0.36
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.34
BACE1 P56817 1/20 0.34
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TOP1 P11387 2/20 0.33
ABCB11 O95342 1/20 0.33
CFD P00746 1/20 0.32
POLB P06746 2/20 0.32

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
SCHEMBL23621178 0.76 MEN1 (0.48) CA2PREPKDM4EHSD17B10ALDH1A1
SCHEMBL6936490 0.76 PREP (0.46) CA2PREPCELA1KDM4EHSD17B10
SCHEMBL9646427 0.76 KDM4E (0.48) CA2PREPCELA1KDM4EHSD17B10
SCHEMBL4647729 0.76 HSD17B10 (0.50) CA2PREPCELA1KDM4EHSD17B10
SCHEMBL1452119 0.76 TOP1 (0.44) PREPCELA1KDM4EHSD17B10MAPK1
SCHEMBL6544693 0.76 KDM4E (0.44) PREPCELA1KDM4EHSD17B10MAPK1
SCHEMBL14430071 0.74 KDM4E (0.44) CA2PREPCELA1KDM4EHSD17B10
SCHEMBL7827341 0.74 PREP (0.48) CA2PREPCELA1KDM4EHSD17B10
SCHEMBL13864993 0.74 BACE1 (0.50) CA2PREPKDM4EHSD17B10LMNA
SCHEMBL7140477 0.72 TUBB4A (0.46) MAPK1ALDH1A1BACE1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353631-A1 1,4-Benzoxazines for the Treatment of Cancers and Other Neurodegenerative Diseases Neugeneron LLC 2021-11-18 US claimed
US-20120094991-A1 1, 4-Benzoxazine Compounds and Derivatives Thereof as Therapeutic Drugs for the Treatment of Neurodegenerative Conditions Southerm Methodist University (US) 2012-04-19 US claimed
US-20210353631-A1 1,4-Benzoxazines for the Treatment of Cancers and Other Neurodegenerative Diseases Neugeneron LLC 2021-11-18 US disclosed
US-8680094-B2 1, 4-benzoxazine compounds and derivatives thereof as therapeutic drugs for the treatment of neurodegenerative conditions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-03-25 US disclosed
US-20120094991-A1 1, 4-Benzoxazine Compounds and Derivatives Thereof as Therapeutic Drugs for the Treatment of Neurodegenerative Conditions Southerm Methodist University (US) 2012-04-19 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 (2 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-20210353631-A1 1,4-Benzoxazines for the Treatment of Cancers and Other Neurodegenerative Diseases GBA1, NFXL1, CYP4X1 CA2 3016/4885PREP 1957/4885CELA1 1012/4885
US-20120094991-A1 1, 4-Benzoxazine Compounds and Derivatives Thereof as Therapeutic Drugs for the Treatment of Neurodegenerative Conditions HYPK, HTT, HIPK4 CA2 3094/4885PREP 2589/4885CELA1 1971/4885

“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.