SCHEMBL15083808

SCHEMBL15083808

CCOC(=O)c1ccc2cncn2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
ESR2 Q92731 1/20 0.46
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
LMNA P02545 2/20 0.45
MAOA P21397 1/20 0.45
CYP19A1 P11511 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
TBXAS1 P24557 2/20 0.44
NAMPT P43490 1/20 0.44
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL322086 0.83 NAMPT (0.46) ESR1CA12CA1CA2CA7
SCHEMBL1931310 0.79 ESR1 (0.42) ESR1CA12CA1CA2CA9
SCHEMBL26836187 0.78 ESR1 (0.47) ESR1CYP3A4LMNAHPGDTBXAS1
SCHEMBL1931436 0.76 TBXAS1 (0.51) ESR1TBXAS1NAMPTALDH1A1HSP90AA1
SCHEMBL6414669 0.76 CA12 (0.49) ESR1CA12CA1CA2CA7
SCHEMBL22445878 0.75 CYP2C19 (0.40) CA12CA1CA2CA7CA9
SCHEMBL26414011 0.74 TBXAS1 (0.47) ESR1CYP3A4TBXAS1NAMPTSMN1; SMN2
SCHEMBL27077538 0.74 CA12 (0.44) ESR1CA12CA1CA2CA7
SCHEMBL24702012 0.74 TBXAS1 (0.47) ESR1TBXAS1NAMPTHDAC1
SCHEMBL30147831 0.74 NAMPT (0.52) ESR1CYP1A2CYP3A4HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 EP disclosed
EP-4289813-A2 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2023-12-13 EP disclosed
US-20230255963-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2023-08-17 US disclosed
US-20230255963-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2023-08-17 US disclosed
US-20230098872-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. 2023-03-30 US disclosed
WO-2022204452-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-09-29 WO disclosed
US-20220125786-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2022-04-28 US disclosed
US-20210290619-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2021-09-23 US disclosed
EP-3738434-A1 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2020-11-18 EP disclosed
US-10806733-B2 Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-10-20 US disclosed
US-20160206614-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2016-07-21 US disclosed
US-20160206614-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2016-07-21 US disclosed
US-9238657-B2 Cephalosporin having catechol group SHIONOGI & CO., LTD. (JP) 2016-01-19 US disclosed
US-20150344472-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2015-12-03 US disclosed
US-20150344472-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2015-12-03 US disclosed
US-9018210-B2 Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-04-28 US disclosed
US-9018210-B2 Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-04-28 US disclosed
US-20130190315-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-25 US disclosed
US-20130190315-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-25 US disclosed
WO-2013102142-A1 SUBSTITUTED BENZALDEHYDE 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 (8 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-10806733-B2 Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation HBB, HBG2, MB ESR1 3153/4885CA12 1388/4885CA1 2823/4885
US-20230098872-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 ESR1 3056/4885CA12 3690/4885CA1 3552/4885
US-20150344472-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ESR1 3153/4885CA12 1388/4885CA1 2823/4885
US-20230255963-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ESR1 3153/4885CA12 1388/4885CA1 2823/4885
US-20220125786-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ESR1 3153/4885CA12 1388/4885CA1 2823/4885
US-20160206614-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ESR1 3153/4885CA12 1388/4885CA1 2823/4885
US-20130190315-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ESR1 3153/4885CA12 1388/4885CA1 2823/4885
US-20210290619-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ESR1 3153/4885CA12 1388/4885CA1 2823/4885

“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.