SCHEMBL5222642

SCHEMBL5222642

CCOC(=O)c1cc([N+](=O)[O-])c2[nH]cc(C)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.48
▸ ALDH1A1 P00352 6/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ PKM P14618 2/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ PTGER4 P35408 1/20 0.45
▸ ESR1 P03372 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GALR2 O43603 1/20 0.41
▸ MITF O75030 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
SCHEMBL5220971 0.89 KMT2A (0.47) KMT2AALDH1A1NPC1MAPTRAB9A
SCHEMBL5217180 0.86 KMT2A (0.46) KMT2AALDH1A1NPC1MAPTRAB9A
SCHEMBL5219479 0.79 CA12 (0.45) KMT2AALDH1A1NPC1MAPTRAB9A
SCHEMBL6815909 0.77 KMT2A (0.59) KMT2AALDH1A1NPC1MAPTRAB9A
SCHEMBL5739344 0.77 NQO2 (0.53) KMT2AALDH1A1NPC1MAPTLMNA
SCHEMBL5924443 0.76 ESR1 (0.69) KMT2AALDH1A1NPC1MAPTRAB9A
SCHEMBL13011084 0.75 ESR1 (0.60) KMT2AALDH1A1NPC1MAPTRAB9A
SCHEMBL2655338 0.75 KMT2A (0.57) KMT2AALDH1A1NPC1MAPTRAB9A
SCHEMBL10606064 0.74 KMT2A (0.53) KMT2AALDH1A1NPC1MAPTRAB9A
SCHEMBL6159554 0.74 KMT2A (0.53) KMT2AALDH1A1NPC1MAPTRAB9A

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-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
CN-1735592-A Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LTD (GB) 2006-02-15 — — CN disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 — — 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 (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 3102/4885NPC1 1554/4885

“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.

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