SCHEMBL5218577

SCHEMBL5218577

CCOC(=O)c1cc(Br)c(NC(=O)C(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 3/20 0.46
PKM P14618 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PTGER4 P35408 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 2/20 0.43
GALR2 O43603 1/20 0.43
MITF O75030 1/20 0.43
HSP90AA1 P07900 1/20 0.43
XBP1 P17861 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL1967675 0.88 ABL1 (0.48) KMT2AALDH1A1MAPTLMNAPOLB
SCHEMBL25252935 0.80 KMT2A (0.39) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL29181806 0.78 MEN1 (0.44) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL12480066 0.78 KMT2A (0.54) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL5218836 0.76 NPC1 (0.58) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL4291025 0.76 ESR1 (0.58) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL28362640 0.74 VCAM1 (0.42) KMT2AALDH1A1MAPTLMNAPOLB
SCHEMBL28884118 0.74 KMT2A (0.39) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL25834987 0.73 AR (0.36) KMT2AALDH1A1MAPTRAB9ALMNA
SCHEMBL28549978 0.73 AR (0.38) KMT2AALDH1A1MAPTLMNAKDM4E

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-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 KMT2A 300/4885ALDH1A1 3102/4885MAPT 16/4885

“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.