SCHEMBL841259

SCHEMBL841259

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.60
MEN1 O00255 7/20 0.60
STAT3 P40763 1/20 0.59
ALDH1A1 P00352 5/20 0.48
MAPT P10636 5/20 0.47
KDM4E B2RXH2 4/20 0.47
TP53 P04637 3/20 0.47
MAPK1 P28482 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 3/20 0.47
RGS12 O14924 2/20 0.47
GMNN O75496 2/20 0.47
CYP2C9 P11712 2/20 0.47
ALOX15 P16050 2/20 0.47
TSHR P16473 2/20 0.47
ALOX12 P18054 2/20 0.47
NFKB1 P19838 2/20 0.47

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
SCHEMBL841782 1.00 KMT2A (0.60) KMT2AMEN1STAT3ALDH1A1MAPT
SCHEMBL841260 1.00 KMT2A (0.60) KMT2AMEN1STAT3ALDH1A1MAPT
SCHEMBL841781 1.00 KMT2A (0.60) KMT2AMEN1STAT3ALDH1A1MAPT
SCHEMBL1573453 1.00 KMT2A (0.60) KMT2AMEN1STAT3ALDH1A1MAPT
SCHEMBL15947782 0.88 KMT2A (0.61) KMT2AMEN1STAT3ALDH1A1MAPT
SCHEMBL15947779 0.88 KMT2A (0.61) KMT2AMEN1STAT3ALDH1A1MAPT
Mol-4239 SCHEMBL862248 0.88 STAT3 (0.77) KMT2AMEN1STAT3ALDH1A1MAPT
Mol-4239 SCHEMBL1316581 0.88 STAT3 (0.77) KMT2AMEN1STAT3ALDH1A1MAPT
Mol-4239 SCHEMBL1318844 0.88 STAT3 (0.77) KMT2AMEN1STAT3ALDH1A1MAPT
Mol-4239 SCHEMBL29818004 0.88 STAT3 (0.77) KMT2AMEN1STAT3ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000179-B2 Inhibitors of proliferation and activation of signal transducer and activator of transcription (STATs) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-04-07 US disclosed
US-9000179-B2 Inhibitors of proliferation and activation of signal transducer and activator of transcription (STATs) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-04-07 US disclosed
US-9000179-B2 Inhibitors of proliferation and activation of signal transducer and activator of transcription (STATs) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-04-07 US disclosed
EP-2307367-B1 NOVEL INHIBITORS OF PROLIFERATION AND ACTIVATION OF SIGNAL TRANSDUCER AND ACTIVATOR OF TRANSCRIPTION (STATS) UNIV TEXAS (US) 2014-09-24 EP disclosed
EP-2307367-B1 NOVEL INHIBITORS OF PROLIFERATION AND ACTIVATION OF SIGNAL TRANSDUCER AND ACTIVATOR OF TRANSCRIPTION (STATS) UNIV TEXAS (US) 2014-09-24 EP disclosed
US-20140228414-A1 NOVEL INHIBITORS OF PROLIFERATION AND ACTIVATION OF SIGNAL TRANSDUCER AND ACTIVATOR OF TRANSCRIPTION (STATS) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-08-14 US disclosed
US-20140228414-A1 NOVEL INHIBITORS OF PROLIFERATION AND ACTIVATION OF SIGNAL TRANSDUCER AND ACTIVATOR OF TRANSCRIPTION (STATS) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-08-14 US disclosed
US-20140228414-A1 NOVEL INHIBITORS OF PROLIFERATION AND ACTIVATION OF SIGNAL TRANSDUCER AND ACTIVATOR OF TRANSCRIPTION (STATS) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-08-14 US disclosed
US-8637675-B2 Inhibitors of proliferation and activation of signal transducer and activators of transcription (STATS) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-01-28 US disclosed
US-8637675-B2 Inhibitors of proliferation and activation of signal transducer and activators of transcription (STATS) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-01-28 US disclosed
US-8143412-B2 Inhibitors of proliferation and activation of signal transducer and activator of transcription (STATs) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2012-03-27 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
US-20110275577-A1 METHODS OF TREATING DERMATOLOGIC, GYNECOLOGIC, AND GENITAL DISORDERS WITH CAFFEIC ACID ANALOGS MOLECULIN, LLC (US) 2011-11-10 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
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
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-20110053992-A1 Novel Inhibitors of Proliferation and Activation of Signal Transducer and Activator of Transcription (STATS) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-03-03 US disclosed
US-20110053992-A1 Novel Inhibitors of Proliferation and Activation of Signal Transducer and Activator of Transcription (STATS) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-03-03 US disclosed
US-20110053992-A1 Novel Inhibitors of Proliferation and Activation of Signal Transducer and Activator of Transcription (STATS) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-03-03 US disclosed
WO-2010005807-A2 NOVEL INHIBITORS OF PROLIFERATION AND ACTIVATION OF SIGNAL TRANSDUCER AND ACTIVATOR OF TRANSCRIPTION (STATS) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-01-14 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 (3 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-20110275577-A1 METHODS OF TREATING DERMATOLOGIC, GYNECOLOGIC, AND GENITAL DISORDERS WITH CAFFEIC ACID ANALOGS VHL, PRKDC, POLR1C KMT2A 508/4885MEN1 2918/4885STAT3 902/4885
US-20110053992-A1 Novel Inhibitors of Proliferation and Activation of Signal Transducer and Activator of Transcription (STATS) STAT5A, STAT3, STAT5B KMT2A 1746/4885MEN1 4004/4885STAT3 2/4885
US-20140228414-A1 NOVEL INHIBITORS OF PROLIFERATION AND ACTIVATION OF SIGNAL TRANSDUCER AND ACTIVATOR OF TRANSCRIPTION (STATS) STAT5A, STAT3, STAT5B KMT2A 1746/4885MEN1 4004/4885STAT3 2/4885

“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.