SCHEMBL9974866

SCHEMBL9974866

CCCCCCCCCCCCCCCCN/C=C/C=C(\C)CN

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.42
ADH1B P00325 2/20 0.42
ADH1C P00326 2/20 0.42
ADH1A P07327 2/20 0.42
ADH7 P40394 2/20 0.42
ADH4 P08319 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
SLC6A5 Q9Y345 2/20 0.32
RRM1 P23921 1/20 0.32
DNM1 Q05193 3/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL17227566 0.76 EPHX1 (0.47) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL24513734 0.75 EPHX1 (0.45) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL10410646 0.72 EPHX1 (0.42) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL7870938 0.72 EPHX1 (0.42) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL14034561 0.71 EPHX1 (0.38) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL28154230 0.70 EPHX1 (0.64) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL20757418 0.70 EPHX1 (0.52) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL28141089 0.70 EPHX1 (0.64) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL14547352 0.70 EPHX1 (0.52) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL2038166 0.70 EPHX1 (0.52) EPHX1ADH1BADH1CADH1AADH7

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 6 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-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

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 EPHX1 226/4885ADH1B 836/4885ADH1C 630/4885
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS RIF1, TERT, ELL EPHX1 222/4885ADH1B 1276/4885ADH1C 913/4885

“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.