SCHEMBL8991871

SCHEMBL8991871

N=Cc1ccc([N+](=O)[O-])s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 19/20 0.49
ALDH1A1 P00352 13/20 0.49
KMT2A Q03164 11/20 0.49
KDM4E B2RXH2 9/20 0.49
LMNA P02545 9/20 0.49
MEN1 O00255 9/20 0.49
L3MBTL1 Q9Y468 8/20 0.49
POLB P06746 7/20 0.49
HSP90AA1 P07900 6/20 0.49
HTT P42858 9/20 0.47
MITF O75030 7/20 0.47
SMN1; SMN2 Q16637 10/20 0.46
GAA P10253 1/20 0.46
RECQL P46063 5/20 0.45
RAB9A P51151 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL99040 0.81 MAPT (0.50) MAPTALDH1A1KMT2AKDM4ELMNA
SCHEMBL6261093 0.77 MAPT (0.52) MAPTALDH1A1KMT2AKDM4ELMNA
SCHEMBL8138167 0.76 MAPT (0.53) MAPTALDH1A1KMT2AKDM4ELMNA
SCHEMBL8138170 0.76 MAPT (0.53) MAPTALDH1A1KMT2AKDM4ELMNA
SCHEMBL4887343 0.75 MAPT (0.57) MAPTALDH1A1KMT2AKDM4ELMNA
SCHEMBL3978871 0.75 MAPT (0.56) MAPTALDH1A1KMT2AKDM4ELMNA
SCHEMBL4887344 0.75 MAPT (0.57) MAPTALDH1A1KMT2AKDM4ELMNA
SCHEMBL11482894 0.75 MAPT (0.48) MAPTALDH1A1KMT2AKDM4ELMNA
SCHEMBL4034031 0.75 MAPT (0.56) MAPTALDH1A1KMT2AKDM4ELMNA
SCHEMBL11763015 0.75 MAPT (0.57) MAPTALDH1A1KMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9795610-B2 Theramutein modulators Housey, Gerard M. (US) 2017-10-24 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-20170112848-A1 THERAMUTEIN MODULATORS HMI Medical Innovations, LLC 2017-04-27 US disclosed
US-9579326-B2 Theramutein modulators HMI Medical Innovations, LLC (US) 2017-02-28 US disclosed
US-20160153965-A1 Compounds and Method of Identifying, Synthesizing, Optimizing and Profiling Protein Modulators HMI Medical Innovations, LLC 2016-06-02 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-20150133441-A1 THERAMUTEIN MODULATORS HMI MEDICAL INNOVATIONS, LLC. 2015-05-14 US disclosed
US-20130150358-A1 THERAMUTEIN MODULATORS HMI MEDICAL INNOVATIONS, LLC. (US) 2013-06-13 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-8367038-B2 Blocking or activation of endogenous proteins variations rncoded by mutated gees HMI Medical Innovations, LLC (US) 2013-02-05 US disclosed
EP-2447252-A2 Theramutein modulators Housey, Gerard M. (US) 2012-05-02 EP 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
US-20080269262-A1 Blocking or activation of endogenous proteins variations rncoded by mutated gees HMI MEDICAL INNOVATIONS, LLC. 2008-10-30 US disclosed
WO-2007062213-A2 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HOUSEY PHARMACEUTICALS INC (US) 2007-05-31 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
EP-0719796-A1 Curable crosslinking system with monobenzaldimine as crosslinker AIR PRODUCTS AND CHEMICALS, INC. (US) 1996-07-03 EP 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 (5 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 MAPT 2984/4885ALDH1A1 4411/4885KMT2A 3567/4885
US-20130150358-A1 THERAMUTEIN MODULATORS TSG101, SERPINE1, PLAUR MAPT 2984/4885ALDH1A1 4411/4885KMT2A 3567/4885
US-20150133441-A1 THERAMUTEIN MODULATORS TSG101, SERPINE1, PLAUR MAPT 2984/4885ALDH1A1 4411/4885KMT2A 3567/4885
US-20170112848-A1 THERAMUTEIN MODULATORS TSG101, SERPINE1, PLAUR MAPT 2984/4885ALDH1A1 4411/4885KMT2A 3567/4885
US-20080269262-A1 Blocking or activation of endogenous proteins variations rncoded by mutated gees SERBP1, SERPINA6, UBE2V1 MAPT 4644/4885ALDH1A1 3621/4885KMT2A 4448/4885

“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.