SCHEMBL1778321

SCHEMBL1778321

C=CCN(CCNCCc1ccccc1OC)C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MPO P05164 1/20 0.43
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCHE P06276 1/20 0.41
HPGD P15428 1/20 0.40
CCR3 P51677 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CHRM2 P08172 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL18107005 0.85 AOC3 (0.42) ALDH1A1MEN1LMNAGAAALOX12
SCHEMBL12342272 0.85 SLC6A2 (0.34) ALDH1A1LMNABCHEHPGDCHRM2
SCHEMBL1779066 0.83 TAAR1 (0.38) MEN1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL4197194 0.77 SLC6A2 (0.42) ALDH1A1MEN1LMNAGAAALOX12
SCHEMBL1779031 0.74 KCNH2 (0.42) LMNACYP1A2CYP2D6CYP2C19KCNH2
SCHEMBL1779062 0.73 KCNH2 (0.41) MEN1KMT2AKCNH2SIGMAR1HTR2A
SCHEMBL21243265 0.73 MPO (0.70) MPOMEN1KMT2ABCHECYP2D6
SCHEMBL4197200 0.70 TAAR1 (0.41) ALDH1A1MEN1KMT2ABCHEHPGD
SCHEMBL1965743 0.69 MPO (0.60) ALDH1A1MPOMEN1LMNAGAA
SCHEMBL12204085 0.68 ALDH1A1 (0.76) ALDH1A1MEN1LMNAGAAALOX12

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 27 patents — showing the first 20. 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
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-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-8202910-B2 Compositions and methods for treatment of infectious disease SEQUELLA, INC. (US) 2012-06-19 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-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-7456222-B2 Anti tubercular drug: compositions and methods SEQUELLA, INC. (US) 2008-11-25 US 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 (6 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 ALDH1A1 1876/4885MPO 227/4885MEN1 704/4885
US-20030236225-A1 Methods of use and compositions for the diagnosis and treatment of infectious disease TERT, C5, DERA ALDH1A1 1103/4885MPO 56/4885MEN1 707/4885
US-20060148904-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL ALDH1A1 1277/4885MPO 531/4885MEN1 1643/4885
US-20060020041-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL ALDH1A1 1277/4885MPO 531/4885MEN1 1643/4885
US-20040033986-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL ALDH1A1 1277/4885MPO 531/4885MEN1 1643/4885
US-20040019117-A1 Anti tubercular drug: compostions and methods TYMS, TERT, TYMP ALDH1A1 1691/4885MPO 506/4885MEN1 1107/4885

“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.