SCHEMBL15069813

SCHEMBL15069813

COc1cnc(OCc2cccc3c2cnn3C)cc1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
MPO P05164 2/20 0.36
FGFR1 P11362 1/20 0.35
CCR4 P51679 1/20 0.35
PDK1 Q15118 1/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL30078166 0.92 TDP1 (0.36) ALDH1A1RXFP1TDP1RAF1BRAF
SCHEMBL15065762 0.92 TDP1 (0.36) ALDH1A1RXFP1TDP1RAF1BRAF
SCHEMBL15065281 0.83 RAB9A (0.40) ALDH1A1RXFP1TDP1RAF1BRAF
SCHEMBL29477098 0.83 RAB9A (0.40) ALDH1A1RXFP1TDP1RAF1BRAF
SCHEMBL15068387 0.74 TBXAS1 (0.38) ALDH1A1TDP1NPC1MAPTRAB9A
SCHEMBL30078045 0.74 SLC16A3 (0.36) ALDH1A1RXFP1NPC1MAPTRAB9A
SCHEMBL15065523 0.74 SLC16A3 (0.36) ALDH1A1RXFP1NPC1MAPTRAB9A
SCHEMBL21621640 0.74 CD274 (0.51) SLC16A3SLC16A1
SCHEMBL15065432 0.72 MPO (0.37) ALDH1A1RXFP1NPC1MAPTRAB9A
SCHEMBL30078048 0.72 MPO (0.37) ALDH1A1RXFP1NPC1MAPTRAB9A

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 11 patents. 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-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
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
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
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 ALDH1A1 43/4885RXFP1 2149/4885TDP1 4230/4885
US-20200190058-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ALDH1A1 43/4885RXFP1 2149/4885TDP1 4230/4885
US-10822326-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation HBB, HBG2, MB ALDH1A1 43/4885RXFP1 2149/4885TDP1 4230/4885
US-20150344483-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ALDH1A1 43/4885RXFP1 2149/4885TDP1 4230/4885
US-20170107199-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ALDH1A1 43/4885RXFP1 2149/4885TDP1 4230/4885
US-10377741-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation HBB, HBG2, MB ALDH1A1 43/4885RXFP1 2149/4885TDP1 4230/4885
US-20130190316-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ALDH1A1 43/4885RXFP1 2149/4885TDP1 4230/4885

“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.