SCHEMBL550633

SCHEMBL550633

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 3/20 0.48
RAB9A P51151 1/20 0.47
GAA P10253 4/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
APP P05067 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
SCHEMBL3527114 0.86 ALDH1A1 (0.51) KMT2AALDH1A1KDM4EMAPTLMNA
SCHEMBL6609952 0.83 ALDH1A1 (0.49) KMT2AALDH1A1KDM4EMAPTLMNA
SCHEMBL11092415 0.82 MAPT (0.48) KMT2AALDH1A1MAPTRAB9ALMNA
SCHEMBL1345244 0.82 KMT2A (0.56) KMT2AMAPTRAB9AGAALMNA
SCHEMBL1345434 0.82 KMT2A (0.56) KMT2AMAPTRAB9AGAALMNA
SCHEMBL427393 0.82 KMT2A (0.56) KMT2AMAPTRAB9AGAALMNA
SCHEMBL11090216 0.81 ALDH1A1 (0.47) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL2761732 0.81 SLC6A3 (0.48) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL2761873 0.80 ALDH1A1 (0.46) KMT2AALDH1A1KDM4EMAPTLMNA
SCHEMBL4136472 0.79 ALDH1A1 (0.58) KMT2AALDH1A1KDM4EMAPTRAB9A

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11714080-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2023-08-01 US disclosed
US-11714080-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2023-08-01 US disclosed
US-11692998-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2023-07-04 US disclosed
US-11692998-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2023-07-04 US disclosed
US-20210215670-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2021-07-15 US disclosed
US-20210215671-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2021-07-15 US disclosed
US-10955408-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2021-03-23 US disclosed
US-20200049693-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2020-02-13 US disclosed
US-10473643-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2019-11-12 US disclosed
US-10018619-B2 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2018-07-10 US disclosed
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HHS (US) 2009-12-17 US disclosed
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HHS (US) 2009-12-17 US disclosed
US-20090275070-A1 Compounds and Methods of Identifying, Synthesizing, Optimizing and Profiling Protein Modulators HOUSEY GERARD M 2009-11-05 US disclosed
US-20090275070-A1 Compounds and Methods of Identifying, Synthesizing, Optimizing and Profiling Protein Modulators HOUSEY GERARD M 2009-11-05 US disclosed
EP-2027088-A2 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES The Government of the United States of America, as repres. by the Secretary of Health and Human Services, Nat. Inst. of Health (US) 2009-02-25 EP disclosed
WO-2008091681-A2 THERAMUTEIN MODULATORS HOUSEY GERARD M (US) 2008-07-31 WO disclosed
WO-2007109211-A2 1-OXO-ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-09-27 WO disclosed
US-20070111199-A1 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC 2007-05-17 US disclosed
US-20070111199-A1 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC 2007-05-17 US disclosed
US-4476315-A NITROARYLACETIC ACID ESTERS FROM NITROAROMATIC COMPOUNDS ETHYL CORPORATION (US) 1984-10-09 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-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, RNMT, CPT1B KMT2A 1048/4885ALDH1A1 1547/4885KDM4E 2632/4885

“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.