SCHEMBL1315698

SCHEMBL1315698

CC[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 8/20 0.85
UCHL1 P09936 1/20 0.85
USP5 P45974 1/20 0.85
STAT3 P40763 1/20 0.75
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
KDM4E B2RXH2 3/20 0.41
TP53 P04637 3/20 0.41
MAPK1 P28482 3/20 0.41
RGS12 O14924 2/20 0.41
GMNN O75496 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41

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
SCHEMBL1315703 1.00 USP9X (0.85) USP9XUCHL1USP5STAT3ALDH1A1
SCHEMBL1315701 1.00 USP9X (0.85) USP9XUCHL1USP5STAT3ALDH1A1
SCHEMBL1315700 1.00 USP9X (0.85) USP9XUCHL1USP5STAT3ALDH1A1
SCHEMBL1317671 0.92 USP9X (1.00) USP9XUCHL1USP5STAT3ALDH1A1
SCHEMBL1317669 0.92 USP9X (1.00) USP9XUCHL1USP5STAT3ALDH1A1
SCHEMBL1317674 0.92 USP9X (1.00) USP9XUCHL1USP5STAT3ALDH1A1
SCHEMBL882501 0.92 USP9X (1.00) USP9XUCHL1USP5STAT3ALDH1A1
SCHEMBL1315734 0.91 USP9X (0.81) USP9XUCHL1USP5STAT3ALDH1A1
SCHEMBL1315735 0.91 USP9X (0.81) USP9XUCHL1USP5STAT3ALDH1A1
SCHEMBL1315733 0.91 USP9X (0.81) 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096499-B2 Compounds for treatment of cell proliferative diseases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-08-04 US disclosed
US-9096499-B2 Compounds for treatment of cell proliferative diseases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-08-04 US disclosed
US-20140329901-A1 COMPOUNDS FOR TREATMENT OF CELL PROLIFERATIVE DISEASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-11-06 US disclosed
US-20140329901-A1 COMPOUNDS FOR TREATMENT OF CELL PROLIFERATIVE DISEASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-11-06 US disclosed
US-8648102-B2 Compounds for treatment of cell proliferative diseases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-11 US disclosed
US-8648102-B2 Compounds for treatment of cell proliferative diseases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-11 US disclosed
US-20130244986-A1 METHODS OF TREATING SKIN DISORDERS WITH CAFFEIC ACID ANALOGS MOLECULIN LLC (US) 2013-09-19 US disclosed
US-20130244986-A1 METHODS OF TREATING SKIN DISORDERS WITH CAFFEIC ACID ANALOGS MOLECULIN LLC (US) 2013-09-19 US disclosed
US-8450337-B2 Methods of treating skin disorders with caffeic acid analogs MOLECULIN, LLC (US) 2013-05-28 US disclosed
US-8450337-B2 Methods of treating skin disorders with caffeic acid analogs MOLECULIN, LLC (US) 2013-05-28 US disclosed
WO-2011069141-A2 INTERFERON THERAPIES IN COMBINATION WITH BLOCKADE OF STAT3 ACTIVATION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-06-09 WO disclosed
US-20110021805-A1 COMPOUNDS FOR TREATMENT OF CELL PROLIFERATIVE DISEASES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-01-27 US disclosed
US-20110021805-A1 COMPOUNDS FOR TREATMENT OF CELL PROLIFERATIVE DISEASES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-01-27 US disclosed
US-20100292229-A1 TRYPHOSTIN-ANALOGS FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-11-18 US disclosed
US-20100292229-A1 TRYPHOSTIN-ANALOGS FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-11-18 US disclosed
US-7745468-B2 tyrphostin-like compounds that display a significant potency as kinase inhibitors, cause the downregulation of c-myc proto-oncogene and inhibit the growth and survival of cancerous cell lines; antiproliferative agents Board of Regents, University of Texas Systems The (US) 2010-06-29 US disclosed
US-7745468-B2 tyrphostin-like compounds that display a significant potency as kinase inhibitors, cause the downregulation of c-myc proto-oncogene and inhibit the growth and survival of cancerous cell lines; antiproliferative agents Board of Regents, University of Texas Systems The (US) 2010-06-29 US disclosed
US-20100152143-A1 Methods of Treating Skin Disorders with Caffeic Acid Analogs MOLECULIN, LLC (US) 2010-06-17 US disclosed
WO-2008005954-A2 TRYPHOSTIN-ANALOGS FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-01-10 WO disclosed
WO-2005058829-A1 COMPOUNDS FOR TREATMENT OF CELL PROLIFERATIVE DISEASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2005-06-30 WO 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-20100292229-A1 TRYPHOSTIN-ANALOGS FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES MYC, STAT3, MYCBP USP9X 4451/4885UCHL1 4077/4885USP5 3468/4885
US-20100152143-A1 Methods of Treating Skin Disorders with Caffeic Acid Analogs CUTA, TYR, PPARA USP9X 4553/4885UCHL1 3330/4885USP5 3332/4885
US-20110021805-A1 COMPOUNDS FOR TREATMENT OF CELL PROLIFERATIVE DISEASES MYC, MKI67, MYCBP USP9X 3371/4885UCHL1 3672/4885USP5 3228/4885
US-20130244986-A1 METHODS OF TREATING SKIN DISORDERS WITH CAFFEIC ACID ANALOGS CUTA, TYR, PPARA USP9X 4553/4885UCHL1 3330/4885USP5 3332/4885
US-20140329901-A1 COMPOUNDS FOR TREATMENT OF CELL PROLIFERATIVE DISEASES MYC, MKI67, MYCBP USP9X 3371/4885UCHL1 3672/4885USP5 3228/4885

“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.