SCHEMBL4381773

SCHEMBL4381773

CC(C)(C)OC(=O)NCCc1ccccc1O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.61
IDO1 P14902 4/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
NAMPT P43490 1/20 0.47
MALT1 Q9UDY8 1/20 0.47
MPO P05164 1/20 0.46
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
BCHE P06276 1/20 0.45
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
KCNA5 P22460 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DRD2 P14416 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL8600783 0.91 NQO2 (0.52) NQO2IDO1MEN1KMT2ANAMPT
SCHEMBL27770725 0.90 TDP1 (0.51) NQO2MEN1KMT2ACA1CA2
SCHEMBL21680877 0.85 NQO2 (0.57) NQO2IDO1MEN1LMNATSHR
SCHEMBL5792738 0.84 KCNA5 (0.52) NQO2IDO1LMNATSHRNAMPT
SCHEMBL5415076 0.84 CA1 (0.52) NQO2CA1CA2CA12CA9
SCHEMBL29761164 0.84 CA12 (0.58) NQO2TSHRMALT1MPOCA2
SCHEMBL15284607 0.84 NQO2 (0.48) NQO2IDO1MALT1CA1CA2
SCHEMBL5306684 0.84 MTNR1A (0.52) MPOMTNR1AMTNR1B
SCHEMBL3691031 0.84 NQO2 (0.57) NQO2IDO1MEN1LMNATSHR
SCHEMBL6560620 0.84 NQO2 (0.57) NQO2IDO1MEN1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119638641-A Ferrous ion and viscosity dual-response fluorescent probe in parkinsonism model and preparation method and application thereof 山西医科大学 2025-03-18 CN claimed
US-20210284655-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2021-09-16 US disclosed
US-10981931-B2 Libraries of heteroaryl-containing macrocyclic compounds and methods of making and using the same CYCLENIUM PHARMA INC. (CA) 2021-04-20 US disclosed
US-20200190083-A1 LIBRARIES OF PYRIDINE-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2020-06-18 US disclosed
US-20200157116-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2020-05-21 US disclosed
US-10407442-B2 Libraries of heteroaryl-containing macrocyclic compounds and methods of making and using the same CYCLENIUM PHARMA INC. (CA) 2019-09-10 US disclosed
US-20190153620-A1 LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2019-05-23 US disclosed
WO-2017049383-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2017-03-30 WO disclosed
US-9181298-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2015-11-10 US disclosed
WO-2015138689-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-09-17 WO disclosed
EP-2038272-A2 PYRIDINONYL PDK1 INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 WO disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 WO disclosed
US-5854242-A Benzoxazine antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-12-29 US disclosed
EP-0815105-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINONE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS HOECHST MARION ROUSSEL, INC. (US) 1998-01-07 EP disclosed
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed
WO-1996028441-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINONE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS HOECHST MARION ROUSSEL, INC. (US) 1996-09-19 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 (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-20200157116-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME NCOA3, VDR, GRK3 NQO2 1637/4885IDO1 4719/4885MEN1 4610/4885
US-20190153620-A1 LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME VDR, TRPM8, TRPM7 NQO2 1695/4885IDO1 4795/4885MEN1 4316/4885
US-20210284655-A1 LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME NCOA3, VDR, GRK3 NQO2 1637/4885IDO1 4719/4885MEN1 4610/4885
US-10981931-B2 Libraries of heteroaryl-containing macrocyclic compounds and methods of making and using the same NCOA3, VDR, GRK3 NQO2 1637/4885IDO1 4719/4885MEN1 4610/4885
US-20200190083-A1 LIBRARIES OF PYRIDINE-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME VDR, TRPM8, TRPM7 NQO2 991/4885IDO1 4480/4885MEN1 4562/4885
US-10407442-B2 Libraries of heteroaryl-containing macrocyclic compounds and methods of making and using the same NCOA3, VDR, GRK3 NQO2 1637/4885IDO1 4719/4885MEN1 4610/4885

“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.