SCHEMBL15065229

SCHEMBL15065229

CC(C)n1nccc1-c1ncccc1COc1cncc(O)c1CO

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C8 P10632 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
BDKRB2 P30411 1/20 0.30

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
SCHEMBL22132708 0.88 CYP1A2 (0.72) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL15068330 0.84 CYP1A2 (0.79) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL30077912 0.84 CYP1A2 (0.79) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL16656139 0.84 CYP1A2 (0.65) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL22132875 0.81 CYP1A2 (0.74) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL22132888 0.79 CYP1A2 (0.71) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL15065328 0.78 CYP1A2 (0.69) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL15065399 0.78 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL15066166 0.77 CYP1A2 (0.68) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL16656140 0.77 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19

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 CYP1A2 229/4885CYP3A4 106/4885CYP2C8 83/4885
US-20200190058-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB CYP1A2 229/4885CYP3A4 106/4885CYP2C8 83/4885
US-10822326-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation HBB, HBG2, MB CYP1A2 229/4885CYP3A4 106/4885CYP2C8 83/4885
US-20150344483-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB CYP1A2 229/4885CYP3A4 106/4885CYP2C8 83/4885
US-20170107199-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB CYP1A2 229/4885CYP3A4 106/4885CYP2C8 83/4885
US-10377741-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation HBB, HBG2, MB CYP1A2 229/4885CYP3A4 106/4885CYP2C8 83/4885
US-20130190316-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB CYP1A2 229/4885CYP3A4 106/4885CYP2C8 83/4885

“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.