SCHEMBL1780476

SCHEMBL1780476

CC1CC(C)CN(CC(N)CCC(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 2/20 0.41
MAPK1 P28482 1/20 0.40
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HRH1 P35367 2/20 0.38
KCNA3 P22001 1/20 0.38
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTR2A P28223 1/20 0.36

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
SCHEMBL4723838 0.74 ACHE (0.51) ALDH1A1KMT2AMEN1MAPK1POLB
SCHEMBL1780477 0.73 SIGMAR1 (0.49) SIGMAR1ALDH1A1KMT2AMEN1GAA
SCHEMBL1780475 0.72 SIGMAR1 (0.48) SIGMAR1ALDH1A1KMT2AMEN1GAA
SCHEMBL11165924 0.69 SIGMAR1 (0.49) SIGMAR1ALDH1A1KMT2AMEN1GAA
SCHEMBL3174127 0.68 MAPT (0.41) SIGMAR1ALDH1A1KMT2AMEN1GAA
SCHEMBL7771656 0.68 HRH1 (0.50) SIGMAR1CYP2D6HRH1CYP1A2CYP3A4
SCHEMBL4793449 0.67 HRH1 (0.60) HRH1HTR2A
SCHEMBL28247002 0.67 SIGMAR1 (0.69) SIGMAR1CYP2D6KCNA3
SCHEMBL9362566 0.67 ALDH1A1 (0.54) SIGMAR1ALDH1A1KMT2AMEN1GAA
SCHEMBL12050627 0.66 HRH3 (0.72) SIGMAR1HRH4HRH3POLB

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 10 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 SIGMAR1 4624/4885ALDH1A1 1876/4885KMT2A 2413/4885
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS RIF1, TERT, ELL SIGMAR1 3044/4885ALDH1A1 1029/4885KMT2A 2570/4885
US-20060148904-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL SIGMAR1 3614/4885ALDH1A1 1277/4885KMT2A 3203/4885
US-20060020041-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL SIGMAR1 3614/4885ALDH1A1 1277/4885KMT2A 3203/4885

“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.