SCHEMBL5468622

SCHEMBL5468622

COc1cccc(Nc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.64
AKR1C2 P52895 1/20 0.64
KMT2A Q03164 7/20 0.64
MEN1 O00255 6/20 0.64
MAPT P10636 3/20 0.64
MAPK1 P28482 1/20 0.64
HTT P42858 1/20 0.64
PTGES O14684 1/20 0.59
ALOX5 P09917 1/20 0.59
TRPV1 Q8NER1 1/20 0.58
ABCG2 Q9UNQ0 5/20 0.58
POLB P06746 1/20 0.55
NPC1 O15118 2/20 0.54
HPGD P15428 2/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL7833210 0.91 KMT2A (0.64) AKR1C3AKR1C2KMT2AMEN1MAPT
SCHEMBL1165640 0.89 AKR1C3 (0.63) AKR1C3AKR1C2KMT2AMEN1MAPT
SCHEMBL28342284 0.85 KMT2A (0.87) KMT2AMEN1MAPTMAPK1HTT
SCHEMBL31254103 0.85 KMT2A (0.87) KMT2AMEN1MAPTMAPK1HTT
SCHEMBL515302 0.85 LMNA (0.61) AKR1C3AKR1C2KMT2AMEN1MAPT
SCHEMBL28218708 0.85 LMNA (0.61) AKR1C3AKR1C2KMT2AMEN1MAPT
SCHEMBL30059246 0.85 LMNA (0.61) AKR1C3AKR1C2KMT2AMEN1MAPT
SCHEMBL394734 0.85 KMT2A (0.67) KMT2AMEN1MAPTHTTABCG2
SCHEMBL30612688 0.83 NFE2L2 (0.59) KMT2AMEN1MAPTMAPK1HTT
SCHEMBL28090002 0.83 NFE2L2 (0.59) AKR1C3AKR1C2KMT2AMEN1MAPT

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 21 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-11692998-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2023-07-04 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-20210215670-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-20170191986-A1 Compounds and Method of Identifying, Synthesizing, Optimizing and Profiling Protein Modulators HMI Medical Innovations, LLC 2017-07-06 US disclosed
US-9645137-B2 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2017-05-09 US disclosed
US-9222933-B2 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2015-12-29 US disclosed
US-8431110-B2 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI MEDICAL INNOVATIONS, LLC. (US) 2013-04-30 US disclosed
US-8431110-B2 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI MEDICAL INNOVATIONS, LLC. (US) 2013-04-30 US disclosed
US-20100016298-A1 Theramutein modulators HOUSEY GERAD M 2010-01-21 US disclosed
US-20100016298-A1 Theramutein modulators HOUSEY GERAD M 2010-01-21 US disclosed
US-20090275070-A1 Compounds and Methods of Identifying, Synthesizing, Optimizing and Profiling Protein Modulators HOUSEY GERARD M 2009-11-05 US disclosed
WO-2008091681-A2 THERAMUTEIN MODULATORS HOUSEY GERARD M (US) 2008-07-31 WO disclosed
US-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors WYETH 2007-12-13 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-20070111199-A1 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC 2007-05-17 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-20100016298-A1 Theramutein modulators TSG101, SERPINE1, PLAUR AKR1C3 4292/4885AKR1C2 4096/4885KMT2A 3567/4885
US-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K6 AKR1C3 1098/4885AKR1C2 1204/4885KMT2A 2229/4885

“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.