SCHEMBL5220434

SCHEMBL5220434

COc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.81
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CASP6 P55212 1/20 0.55
TSHR P16473 2/20 0.54
MAPT P10636 5/20 0.50
HCAR3 P49019 3/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL1447399 0.91 TPMT (0.74) TPMTMEN1KMT2ACASP6TSHR
SCHEMBL29493652 0.91 TPMT (0.74) TPMTMEN1KMT2ACASP6TSHR
SCHEMBL10756062 0.90 TPMT (0.72) TPMTMEN1KMT2ACASP6TSHR
SCHEMBL1190543 0.89 TPMT (0.70) TPMTMEN1KMT2ACASP6TSHR
SCHEMBL1986869 0.86 TPMT (0.67) TPMTMEN1KMT2ACASP6TSHR
SCHEMBL29240575 0.85 TPMT (0.61) TPMTMEN1KMT2ACASP6TSHR
SCHEMBL5216905 0.84 TPMT (0.64) TPMTMEN1KMT2AMAPTLMNA
SCHEMBL11836249 0.83 TPMT (0.68) TPMTMEN1KMT2ACASP6TSHR
SCHEMBL8184777 0.82 TPMT (0.62) TPMTMEN1KMT2ACASP6TSHR
SCHEMBL2896874 0.80 TPMT (0.59) TPMTMEN1KMT2ACASP6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122054815-A Optical repair type perovskite photoelectric device and performance repair method thereof 中核光电科技(上海)有限公司 2026-05-15 CN claimed
CN-122054815-A Optical repair type perovskite photoelectric device and performance repair method thereof 中核光电科技(上海)有限公司 2026-05-15 CN disclosed
WO-2025067473-A1 BENZENE RING-CONTAINING COMPOUND HAVING ANALGESIC EFFECT, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川大学华西医院 2025-04-03 WO disclosed
US-7718576-B2 Peroxide-based chemiluminescent assays and chemiluminescent compounds used therein WALDROP III ALEXANDER A 2010-05-18 US disclosed
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
US-5514676-A TO INHIBIT THE FORMATION OF ADVANCED GLYCOSLYATION PRODUCTS BY THE NONENZYMATIC CROSSLINKING OF PROTEINS WITH REDUCING SUGARS, USED IN FOOD PRESERVATION AND TO PREVENT PROTEIN AGING IN COLLAGEN OR LENSES IN THE EYE PRESERVATION THE ROCKEFELLER UNIVERSITY (US) 1996-05-07 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 TPMT 602/4885MEN1 586/4885KMT2A 300/4885

“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.