SCHEMBL9846135

SCHEMBL9846135

C=C(C)c1cc(C=O)c(OCc2ccccc2)nc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
MCL1 Q07820 1/20 0.39
BAK1 Q16611 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
STAT3 P40763 1/20 0.39
ERN1 O75460 3/20 0.38
MAOB P27338 3/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL9846310 0.85 MEN1 (0.45) L3MBTL1MEN1HSP90AA1KMT2AALDH1A1
SCHEMBL15132081 0.85 MAOB (0.48) L3MBTL1MEN1HSP90AA1KMT2AALDH1A1
SCHEMBL15088137 0.80 L3MBTL1 (0.46) L3MBTL1MEN1HSP90AA1KMT2AALDH1A1
SCHEMBL9338308 0.80 L3MBTL1 (0.48) L3MBTL1MEN1HSP90AA1KMT2AALDH1A1
SCHEMBL9846083 0.78 HTT (0.50) L3MBTL1ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL9586039 0.78 ALDH1A1 (0.48) L3MBTL1MEN1HSP90AA1KMT2AALDH1A1
SCHEMBL9846253 0.78 L3MBTL1 (0.40) L3MBTL1MEN1HSP90AA1KMT2AHTT
SCHEMBL9846252 0.78 L3MBTL1 (0.40) L3MBTL1MEN1HSP90AA1KMT2AHTT
SCHEMBL15088136 0.78 L3MBTL1 (0.46) L3MBTL1MEN1HSP90AA1KMT2AALDH1A1
SCHEMBL13220559 0.77 ERN1 (0.46) L3MBTL1MEN1KMT2AMCL1SMN1; SMN2

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 10 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-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-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
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP 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 (6 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-20200190058-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB L3MBTL1 1945/4885MEN1 4885/4885HSP90AA1 874/4885
US-10822326-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation HBB, HBG2, MB L3MBTL1 1945/4885MEN1 4885/4885HSP90AA1 874/4885
US-20150344483-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB L3MBTL1 1945/4885MEN1 4885/4885HSP90AA1 874/4885
US-20170107199-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB L3MBTL1 1945/4885MEN1 4885/4885HSP90AA1 874/4885
US-10377741-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation HBB, HBG2, MB L3MBTL1 1945/4885MEN1 4885/4885HSP90AA1 874/4885
US-20130190316-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB L3MBTL1 1945/4885MEN1 4885/4885HSP90AA1 874/4885

“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.