SCHEMBL1317669

SCHEMBL1317669

CCCC(NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 11/20 1.00
UCHL1 P09936 1/20 1.00
USP5 P45974 1/20 1.00
STAT3 P40763 1/20 0.72
USP24 Q9UPU5 1/20 0.41
TACR3 P29371 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
RGS12 O14924 1/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL1317674 1.00 USP9X (1.00) USP9XUCHL1USP5STAT3USP24
SCHEMBL1317671 1.00 USP9X (1.00) USP9XUCHL1USP5STAT3USP24
SCHEMBL882501 1.00 USP9X (1.00) USP9XUCHL1USP5STAT3USP24
SCHEMBL21592386 0.92 USP9X (0.85) USP9XUCHL1USP5STAT3USP24
SCHEMBL864886 0.92 USP9X (0.85) USP9XUCHL1USP5STAT3USP24
SCHEMBL864885 0.92 USP9X (0.85) USP9XUCHL1USP5STAT3USP24
SCHEMBL1315701 0.92 USP9X (0.85) USP9XUCHL1USP5STAT3ALDH1A1
SCHEMBL1315698 0.92 USP9X (0.85) USP9XUCHL1USP5STAT3ALDH1A1
SCHEMBL1315700 0.92 USP9X (0.85) USP9XUCHL1USP5STAT3ALDH1A1
SCHEMBL1315703 0.92 USP9X (0.85) USP9XUCHL1USP5STAT3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166604-B1 SUBSTANCES FOR THE TREATMENT OF RETROVIRAL INFECTIOUS DISEASES IMMUNOLOGIK GMBH (DE) 2020-11-18 EP disclosed
US-20190105341-A1 Compositions and Methods for Treating Alzheimer's Disease and Other Tauopathies THE BOARD OF TRUSTEE OF THE LELAND STANFORD JUNIOR UNIVERSITY 2019-04-11 US disclosed
US-10149860-B2 Compositions and methods for treating alzheimer's disease and other tauopathies Board of Trustees of the Leland Stanford Junior University, Stanford University Office of Technology Licensing (US) 2018-12-11 US disclosed
EP-3370715-A1 PROTEOLYSIS TARGETING CHIMERA COMPOUNDS AND METHODS OF PREPARING AND USING SAME Yale University (US) 2018-09-12 EP disclosed
WO-2017079267-A1 PROTEOLYSIS TARGETING CHIMERA COMPOUNDS AND METHODS OF PREPARING AND USING SAME YALE UNIVERSITY (US) 2017-05-11 WO disclosed
US-20170121321-A1 Proteolysis Targeting Chimera Compounds and Methods of Preparing and Using Same YALE UNIVERSITY 2017-05-04 US disclosed
US-20170121321-A1 Proteolysis Targeting Chimera Compounds and Methods of Preparing and Using Same YALE UNIVERSITY 2017-05-04 US disclosed
US-20160151407-A1 Compositions and Methods for Treating Alzheimer's Disease and Other Tauopathies THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2016-06-02 US disclosed
US-9289448-B2 Compositions and methods for treating alzheimer's disease and other tauopathies BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-03-22 US disclosed
US-20150174150-A1 Compositions and Methods for Treating Alzheimer's Disease and Other Tauopathies BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-06-25 US disclosed
US-20130129675-A1 INTERFERON THERAPIES IN COMBINATION WITH BLOCKADE OF STAT3 ACTIVATION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-23 US disclosed
US-20110275577-A1 METHODS OF TREATING DERMATOLOGIC, GYNECOLOGIC, AND GENITAL DISORDERS WITH CAFFEIC ACID ANALOGS MOLECULIN, LLC (US) 2011-11-10 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 (7 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-10149860-B2 Compositions and methods for treating alzheimer's disease and other tauopathies USP9X, PSEN1, PSEN2 USP9X 1/4885UCHL1 24/4885USP5 25/4885
US-20110275577-A1 METHODS OF TREATING DERMATOLOGIC, GYNECOLOGIC, AND GENITAL DISORDERS WITH CAFFEIC ACID ANALOGS VHL, PRKDC, POLR1C USP9X 3737/4885UCHL1 3312/4885USP5 3130/4885
US-20170121321-A1 Proteolysis Targeting Chimera Compounds and Methods of Preparing and Using Same NEDD4, MDM2, CBL USP9X 203/4885UCHL1 9/4885USP5 31/4885
US-20160151407-A1 Compositions and Methods for Treating Alzheimer's Disease and Other Tauopathies USP9X, PSEN1, PSEN2 USP9X 1/4885UCHL1 24/4885USP5 25/4885
US-20190105341-A1 Compositions and Methods for Treating Alzheimer's Disease and Other Tauopathies USP9X, PSEN1, PSEN2 USP9X 1/4885UCHL1 24/4885USP5 25/4885
US-20130129675-A1 INTERFERON THERAPIES IN COMBINATION WITH BLOCKADE OF STAT3 ACTIVATION STAT3, STAT1, STAT5B USP9X 3930/4885UCHL1 4553/4885USP5 4112/4885
US-20150174150-A1 Compositions and Methods for Treating Alzheimer's Disease and Other Tauopathies USP9X, PSEN1, PSEN2 USP9X 1/4885UCHL1 24/4885USP5 25/4885

“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.