SCHEMBL1779032

SCHEMBL1779032

NC(=O)C(Br)C1CCCCCCC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.60
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.38
DPP4 P27487 5/20 0.37
KDM4E B2RXH2 1/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL24217473 0.87
SCHEMBL24212076 0.87
SCHEMBL11225412 0.82 EPHX1 (0.48) EPHX1ALDH1A1TP53DPP4KDM4E
Methylene Chloride SCHEMBL25302622 0.79 EPHX1 (0.37) EPHX1
SCHEMBL4015606 0.78 EPHX1 (0.44) EPHX1ALDH1A1TP53DPP4KDM4E
SCHEMBL4422113 0.78 EPHX1 (0.44) EPHX1ALDH1A1TP53DPP4KDM4E
SCHEMBL4957639 0.78 EPHX1 (0.44) EPHX1ALDH1A1TP53DPP4KDM4E
SCHEMBL1616204 0.76 EPHX1 (0.43) EPHX1ALDH1A1TP53DPP4KDM4E
SCHEMBL3634705 0.76 EPHX1 (0.43) EPHX1ALDH1A1TP53KDM4EMAPT
SCHEMBL1712104 0.75 EPHX1 (1.00) EPHX1ALDH1A1TP53DPP4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513825-B1 ANTI TUBERCULAR DRUG: COMPOSITIONS AND METHODS Dept of Health and Human Services (US) 2016-10-05 EP disclosed
US-8268894-B2 Compositions and methods for the treatment of infectious diseases THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-09-18 US disclosed
US-8202910-B2 Compositions and methods for treatment of infectious disease SEQUELLA, INC. (US) 2012-06-19 US disclosed
US-20110118307-A1 Compositions and methods for the treatment of infectious diseases GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2011-05-19 US disclosed
US-7842729-B2 Anti tubercular drug: compositions and methods THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-30 US disclosed
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS SEQUELLA, INC. 2009-07-30 US disclosed
US-7456222-B2 Anti tubercular drug: compositions and methods SEQUELLA, INC. (US) 2008-11-25 US disclosed
EP-1909780-A2 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS Sequella, Inc. (US) 2008-04-16 EP disclosed
WO-2007005896-A2 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS SEQUELLA, INC. (US) 2007-01-11 WO disclosed
US-20060148904-A1 Anti tubercular drug: compositions and methods SEQUELLA, INC. 2006-07-06 US disclosed
US-20060020041-A1 Anti tubercular drug: compositions and methods SEQUELLA, INC. 2006-01-26 US disclosed
US-6951961-B2 Methods of use and compositions for the diagnosis and treatment of infectious disease GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2005-10-04 US disclosed
EP-1513825-A2 ANTI TUBERCULAR DRUG: COMPOSITIONS AND METHODS Department of Health and Human Services (US) 2005-03-16 EP disclosed
US-20040033986-A1 Anti tubercular drug: compositions and methods PROTOPOPOVA MARINA NIKOLAEVNA (US) 2004-02-19 US disclosed
US-20040019117-A1 Anti tubercular drug: compostions and methods PROTOPOPOVA MARINA NIKOLAEVNA (US) 2004-01-29 US disclosed
US-20030236225-A1 Methods of use and compositions for the diagnosis and treatment of infectious disease GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-12-25 US disclosed
WO-2003096989-A2 ANTI TUBERCULAR DRUG: COMPOSITIONS AND METHODS DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-11-27 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 (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-20110118307-A1 Compositions and methods for the treatment of infectious diseases TERT, C5, ELANE EPHX1 226/4885ALDH1A1 1876/4885TP53 652/4885
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS RIF1, TERT, ELL EPHX1 222/4885ALDH1A1 1029/4885TP53 1489/4885
US-20030236225-A1 Methods of use and compositions for the diagnosis and treatment of infectious disease TERT, C5, DERA EPHX1 223/4885ALDH1A1 1103/4885TP53 818/4885
US-20060148904-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL EPHX1 314/4885ALDH1A1 1277/4885TP53 1207/4885
US-20060020041-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL EPHX1 314/4885ALDH1A1 1277/4885TP53 1207/4885
US-20040033986-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL EPHX1 314/4885ALDH1A1 1277/4885TP53 1207/4885
US-20040019117-A1 Anti tubercular drug: compostions and methods TYMS, TERT, TYMP EPHX1 572/4885ALDH1A1 1691/4885TP53 802/4885

“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.