SCHEMBL1780147

SCHEMBL1780147

c1ccc(C(CCNCCNC2CCCCCCC2)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.60
KCNH2 Q12809 2/20 0.51
KDM4E B2RXH2 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
DPP4 P27487 1/20 0.47
CXCR4 P61073 3/20 0.46
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CXCL12 P48061 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX2 P34913 1/20 0.43

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
SCHEMBL12329870 0.84 SOS1 (0.58) SOS1KCNH2KDM4EDPP4HTR2A
SCHEMBL3643057 0.83 SOS1 (0.77) SOS1KCNH2KDM4EHTR2AHRH1
SCHEMBL2433881 0.79 SOS1 (0.51) SOS1KDM4ETAAR1HTR2AHRH1
SCHEMBL9973125 0.79 KCNH2 (0.47) SOS1KCNH2HTR2AHRH1ALDH1A1
SCHEMBL9973123 0.79 KCNH2 (0.47) SOS1KCNH2HTR2AHRH1ALDH1A1
SCHEMBL3642467 0.79 KCNH2 (0.53) SOS1KCNH2DPP4HTR2AHRH1
SCHEMBL11796932 0.78 KCNH2 (0.76) KCNH2HTR2AHRH1ALDH1A1EPHX2
SCHEMBL14310488 0.77 RAB9A (0.56) EPHX2
Hydrochloric Acid SCHEMBL11794831 0.76 KCNH2 (0.73) KCNH2HTR2AHRH1ALDH1A1EPHX2
SCHEMBL4741840 0.76 RAD52 (0.50) KDM4ETAAR1CXCR4ALDH1A1CXCL12

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 28 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-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-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 SOS1 4264/4885KCNH2 3808/4885KDM4E 2144/4885
US-20030236225-A1 Methods of use and compositions for the diagnosis and treatment of infectious disease TERT, C5, DERA SOS1 4390/4885KCNH2 3931/4885KDM4E 2394/4885
US-20060148904-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL SOS1 4164/4885KCNH2 4219/4885KDM4E 1205/4885
US-20060020041-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL SOS1 4164/4885KCNH2 4219/4885KDM4E 1205/4885
US-20040033986-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL SOS1 4164/4885KCNH2 4219/4885KDM4E 1205/4885
US-20040019117-A1 Anti tubercular drug: compostions and methods TYMS, TERT, TYMP SOS1 4718/4885KCNH2 3877/4885KDM4E 1025/4885

“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.