SCHEMBL9969450

SCHEMBL9969450

CNS(=O)(=O)c1ccc(CC(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.53
GAA P10253 2/20 0.53
CA12 O43570 4/20 0.52
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA9 Q16790 4/20 0.52
CA3 P07451 2/20 0.52
CA4 P22748 2/20 0.52
CA6 P23280 2/20 0.52
CA5A P35218 2/20 0.52
CA7 P43166 2/20 0.52
CA13 Q8N1Q1 2/20 0.52
CA14 Q9ULX7 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
NR3C2 P08235 1/20 0.51
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.50
ESR1 P03372 1/20 0.45
KDM1A O60341 1/20 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
SCHEMBL28917868 0.83 CA1 (0.55) CA1CA2ESR1HSD11B1GHSR
SCHEMBL7765172 0.83 ESR1 (0.44) ALDH1A1CA12CA1CA2CA9
SCHEMBL12315293 0.80 NPSR1 (0.56) ALDH1A1GAACA12CA1CA2
SCHEMBL12315373 0.79 CA12 (0.65) ALDH1A1SMN1; SMN2GAACA12CA1
SCHEMBL13668104 0.79 SMN1; SMN2 (0.62) SMN1; SMN2CA1CA2ESR1L3MBTL1
SCHEMBL10213284 0.79 LMNA (0.45) ALDH1A1SMN1; SMN2GAANR3C2LMNA
SCHEMBL7629070 0.78 SMN1; SMN2 (0.80) ALDH1A1SMN1; SMN2GAACA12CA1
SCHEMBL13232814 0.78 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2GAACA12CA1
SCHEMBL3702441 0.78 UCHL1 (0.59) ALDH1A1SMN1; SMN2GAACA12CA1
SCHEMBL2600037 0.78 ESR1 (0.50) CA2ESR1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11247984-B2 Uracil containing compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2022-02-15 US disclosed
US-20200039966-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-02-06 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-7981881-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA, INC. (US) 2009-10-22 US disclosed
US-20090005344-A1 Compounds and Methods of Use Thereof NKUADA, LLC (US) 2009-01-01 US disclosed
US-20080319044-A1 Compounds and Methods of Use Thereof NUADA, LLC (US) 2008-12-25 US disclosed
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof BRISTOL-MYERS SQUIBB COMPANY 2008-11-27 US disclosed
US-20080269204-A1 Compounds and Methods of Use Thereof DYAKONOV TATYANA 2008-10-30 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US 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 (12 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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 ALDH1A1 2970/4885SMN1; SMN2 2993/4885GAA 2023/4885
US-20090005344-A1 Compounds and Methods of Use Thereof TNF, IL1B, TNFRSF1A ALDH1A1 830/4885SMN1; SMN2 3901/4885GAA 178/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 ALDH1A1 2970/4885SMN1; SMN2 2993/4885GAA 2023/4885
US-20200039966-A1 URACIL CONTAINING COMPOUNDS UNG, DPYD, DUT ALDH1A1 970/4885SMN1; SMN2 3547/4885GAA 340/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK ALDH1A1 148/4885SMN1; SMN2 1371/4885GAA 1059/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC ALDH1A1 3986/4885SMN1; SMN2 3139/4885GAA 920/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 ALDH1A1 2970/4885SMN1; SMN2 2993/4885GAA 2023/4885
US-20080269204-A1 Compounds and Methods of Use Thereof TNF, LITAF, TNFRSF1A ALDH1A1 946/4885SMN1; SMN2 3086/4885GAA 388/4885
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF TNF, NFKBIA, IL6 ALDH1A1 531/4885SMN1; SMN2 4212/4885GAA 925/4885
US-11247984-B2 Uracil containing compounds UNG, DPYD, DUT ALDH1A1 970/4885SMN1; SMN2 3547/4885GAA 340/4885
US-20080319044-A1 Compounds and Methods of Use Thereof TNF, LITAF, LTA ALDH1A1 1349/4885SMN1; SMN2 4355/4885GAA 1092/4885
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof MCL1, FPR1, LTB4R ALDH1A1 603/4885SMN1; SMN2 2998/4885GAA 3331/4885

“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.