SCHEMBL80776

SCHEMBL80776

CC(C)(C)c1cccnc1C=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
NFE2L2 Q16236 8/20 0.38
CA2 P00918 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PLCG1 P19174 1/20 0.34
P2RY1 P47900 2/20 0.34
CTRC Q99895 1/20 0.34
CYP2A6 P11509 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2085731 0.82 NFE2L2 (0.40) TRIM24TRIM33NFE2L2ALDH1A1KDM4E
SCHEMBL2084716 0.80 KDM4E (0.37) TRIM24TRIM33NFE2L2ALDH1A1KDM4E
SCHEMBL586118 0.80 NFE2L2 (0.48) TRIM24TRIM33NFE2L2LMNA
SCHEMBL9004117 0.80 CA2 (0.35) NFE2L2CA2ALDH1A1KDM4ELMNA
SCHEMBL29248105 0.79 CTRC (0.37) NFE2L2CA2PLCG1P2RY1CTRC
SCHEMBL22212665 0.77 NFE2L2 (0.39) TRIM24TRIM33NFE2L2ALDH1A1KDM4E
SCHEMBL2084516 0.77 PLCG1 (0.37) TRIM24TRIM33NFE2L2ALDH1A1KDM4E
SCHEMBL2082864 0.77 CYP19A1 (0.41) NFE2L2ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL2082081 0.77 NFE2L2 (0.38) NFE2L2P2RY1KMT2A
SCHEMBL22096813 0.76 ALOX12 (0.49) NFE2L2CA2ALDH1A1KDM4ESMN1; 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 US disclosed
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-10 US disclosed
US-20190112287-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2019-04-18 US disclosed
US-10017491-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-07-10 US disclosed
US-10017491-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-07-10 US disclosed
US-9981939-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
US-9981939-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
US-20170174654-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2017-06-22 US disclosed
US-20170174654-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2017-06-22 US disclosed
US-7935704-B2 antiproliferative, antitumor agent; fungicide; inhibit eukaryotic cell cycle progression in M phase; rheumatoid arthritis, chronic articular rheumatism, psoriasis, diabetic retinopathy, neovascular glaucoma, retinopathy of prematurity, macular degeneration, corneal graft rejection, osteoporosis NEREUS PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
US-7919497-B2 Analogs of dehydrophenylahistins and their therapeutic use NEREUS PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-7919497-B2 Analogs of dehydrophenylahistins and their therapeutic use NEREUS PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-7674903-B2 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof NEREUS PHARMACEUTICALS, INC. (US) 2010-03-09 US disclosed
US-7674903-B2 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof NEREUS PHARMACEUTICALS, INC. (US) 2010-03-09 US disclosed
US-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE BEYONDSPRING PHARMACEUTICALS, INC. 2008-09-11 US disclosed
US-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE BEYONDSPRING PHARMACEUTICALS, INC. 2008-09-11 US disclosed
US-20070078138-A1 Analogs of dehydrophenylahistins and their therapeutic use BEYONDSPRING PHARMACEUTICALS, INC. 2007-04-05 US disclosed
US-20070078138-A1 Analogs of dehydrophenylahistins and their therapeutic use BEYONDSPRING PHARMACEUTICALS, INC. 2007-04-05 US disclosed
WO-2003084662-A2 COVALENTLY FIXED LIGAND SYSTEMS, NON-METALLOCENE SYSTEMS AND CATALYST SYSTEMS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR POLYMERIZING OLEFINS CELANESE VENTURES GMBH (DE) 2003-10-16 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-20170174654-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB TRIM24 3622/4885TRIM33 4665/4885NFE2L2 121/4885
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB TRIM24 3622/4885TRIM33 4665/4885NFE2L2 121/4885
US-20070078138-A1 Analogs of dehydrophenylahistins and their therapeutic use MKI67, HPGDS, HCCS TRIM24 3973/4885TRIM33 4439/4885NFE2L2 1138/4885
US-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE HPGDS, DHPS, HCCS TRIM24 3685/4885TRIM33 4599/4885NFE2L2 784/4885
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB TRIM24 3622/4885TRIM33 4665/4885NFE2L2 121/4885
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB TRIM24 3622/4885TRIM33 4665/4885NFE2L2 121/4885
US-20190112287-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB TRIM24 3622/4885TRIM33 4665/4885NFE2L2 121/4885
US-10017491-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB TRIM24 3622/4885TRIM33 4665/4885NFE2L2 121/4885

“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.