SCHEMBL21273296

SCHEMBL21273296

CCOC(=O)C(=[N+]=[N-])c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 6/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CES1 P23141 1/20 0.45
GAA P10253 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL14638882 0.84 MAPK1 (0.50) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL7699081 0.83 CES1 (0.50) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL34462714 0.83 MAPK1 (0.44) KMT2AALDH1A1MAPTMEN1MAPK1
SCHEMBL478613 0.80 CES1 (0.61) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL29001221 0.80 CA1 (0.56) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL17338792 0.79 KMT2A (0.50) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL28399426 0.79 MAPT (0.50) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL28393255 0.79 KYAT1 (0.39) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL28783011 0.79 SMN1; SMN2 (0.49) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL900466 0.79 ALDH1A1 (0.54) KMT2AALDH1A1MAPTMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111116368-B Green preparation method of aryl alpha-keto acid ester compound 河南师范大学 2022-07-22 CN disclosed
CN-114736124-A Method for constructing quaternary carbon center by selectively inserting iron-catalyzed diazo compound into C (sp) -C (sp3) bond of propargyl alcohol 湖南警察学院 2022-07-12 CN disclosed
US-11279677-B2 Photochromic hydrazone switches THE TRUSTEES OF DARTMOUTH COLLEGE (US) 2022-03-22 US disclosed
CN-111116368-A Green preparation method of aryl α -keto acid ester compound 河南师范大学 2020-05-08 CN disclosed
EP-3535348-A1 PHOTOCHROMIC HYDRAZONE SWITCHES Trustees of Dartmouth College (US) 2019-09-11 EP disclosed
US-20190256472-A1 PHOTOCHROMIC HYDRAZONE SWITCHES DARTMOUTH COLLEGE (US) 2019-08-22 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-20190256472-A1 PHOTOCHROMIC HYDRAZONE SWITCHES CRYZ, PIN1, PPOX KMT2A 792/4885ALDH1A1 404/4885MAPT 702/4885
US-11279677-B2 Photochromic hydrazone switches CRYZ, PIN1, PPOX KMT2A 792/4885ALDH1A1 404/4885MAPT 702/4885

“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.