SCHEMBL7780082

SCHEMBL7780082

CNCCNC1CCCc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
HTT P42858 3/20 0.52
PDPK1 O15530 1/20 0.51
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
BCHE P06276 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
ACHE P22303 1/20 0.51
ADRA1A P35348 1/20 0.51
HTR6 P50406 1/20 0.51
KDM4E B2RXH2 4/20 0.51
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.47
GAA P10253 1/20 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
SCHEMBL62692 0.86 HTT (0.64) ALDH1A1HTTMAOAMAOBBCHE
SCHEMBL19289840 0.86 HTT (0.64) ALDH1A1HTTMAOAMAOBBCHE
SCHEMBL62691 0.86 HTT (0.64) ALDH1A1HTTMAOAMAOBBCHE
SCHEMBL18995758 0.84 ALDH1A1 (0.60) ALDH1A1HTTMAOAMAOBKDM4E
SCHEMBL18995759 0.83 ALDH1A1 (0.55) ALDH1A1HTTMAOAMAOBBCHE
SCHEMBL1327514 0.82 HTT (0.56) ALDH1A1HTTPDPK1MAOAMAOB
SCHEMBL14930299 0.82 HTT (0.56) ALDH1A1HTTPDPK1MAOAMAOB
SCHEMBL1327511 0.82 HTT (0.56) ALDH1A1HTTPDPK1MAOAMAOB
SCHEMBL8517647 0.82 HTT (0.56) ALDH1A1HTTMAOAMAOBBCHE
SCHEMBL14969305 0.81 ALDH1A1 (0.57) ALDH1A1HTTKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS SEQUELLA, INC. 2009-07-30 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-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
EP-1140852-A1 1,2,3,4-TETRAHYDRONAPHTHALENES AND THEIR PHARAMACEUTICAL USE AstraZeneca AB (SE) 2001-10-10 EP disclosed
WO-2000035882-A1 1,2,3,4-TETRAHYDRONAPHTHALENES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2000-06-22 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 (2 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 1876/4885HTT 990/4885PDPK1 4633/4885
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS RIF1, TERT, ELL ALDH1A1 1029/4885HTT 1692/4885PDPK1 4014/4885

“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.