SCHEMBL15065530

SCHEMBL15065530

COC(OC)c1ccncc1OCc1ccc(C#N)cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MBOAT4 Q96T53 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGDS O60760 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 1/20 0.32
CYP19A1 P11511 1/20 0.32
NTRK1 P04629 3/20 0.32
GRM5 P41594 2/20 0.32
GSK3B P49841 1/20 0.31
CHEK1 O14757 2/20 0.31
ALPL P05186 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
SCHEMBL15066002 0.77 MAPT (0.41) HTT
SCHEMBL15066129 0.75 POLB (0.35) KDM4EALDH1A1HPGDMBOAT4HTT
SCHEMBL1145890 0.72 KDM4E (0.42) KDM4EALDH1A1HPGDMBOAT4HTT
SCHEMBL15065570 0.71 P4HTM (0.43)
SCHEMBL21755858 0.71 NOX1 (0.38) KDM4EALDH1A1HTTL3MBTL1
SCHEMBL2578930 0.68 MBOAT4 (0.40) KDM4EALDH1A1HPGDMBOAT4HTT
SCHEMBL15065260 0.68 MRGPRX4 (0.50)
SCHEMBL23882910 0.68 CYP19A1 (0.42) KDM4ECYP19A1GSK3BALPL
SCHEMBL9768630 0.68 ALDH1A1 (0.44) ALDH1A1HPGDCHRNB4CHRNA3
Trifluoroacetic Acid SCHEMBL15065518 0.68 MRGPRX4 (0.35) GSK3B

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10822326-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-03 US disclosed
US-10822326-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-03 US disclosed
US-20200190058-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2020-06-18 US disclosed
US-20200190058-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2020-06-18 US disclosed
EP-2797597-B1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2020-02-26 EP disclosed
EP-2797597-B1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2020-02-26 EP disclosed
US-10377741-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-08-13 US disclosed
US-10377741-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-08-13 US disclosed
US-20180354929-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2018-12-13 US disclosed
US-20170107199-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2017-04-20 US disclosed
US-20150344483-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2015-12-03 US disclosed
US-9012450-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-04-21 US disclosed
US-9012450-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-04-21 US disclosed
US-9012450-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-04-21 US disclosed
EP-2797597-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2014-11-05 EP disclosed
US-20130190316-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-25 US disclosed
US-20130190316-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-25 US disclosed
US-20130190316-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-25 US disclosed
WO-2013102145-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-04 WO disclosed
WO-2013102145-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-04 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 (7 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-20180354929-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB KDM4E 1201/4885ALDH1A1 43/4885HPGD 142/4885
US-20200190058-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB KDM4E 1201/4885ALDH1A1 43/4885HPGD 142/4885
US-10822326-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation HBB, HBG2, MB KDM4E 1201/4885ALDH1A1 43/4885HPGD 142/4885
US-20150344483-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB KDM4E 1201/4885ALDH1A1 43/4885HPGD 142/4885
US-20170107199-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB KDM4E 1201/4885ALDH1A1 43/4885HPGD 142/4885
US-10377741-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation HBB, HBG2, MB KDM4E 1201/4885ALDH1A1 43/4885HPGD 142/4885
US-20130190316-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB KDM4E 1201/4885ALDH1A1 43/4885HPGD 142/4885

“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.