SCHEMBL3379728

SCHEMBL3379728

CC1N=C(c2ccccc2)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.41
WDR48 Q8TAF3 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 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
SCHEMBL6700097 0.90 MMP2 (0.32) USP1WDR48NPC1RAB9A
SCHEMBL6699829 0.87 NPC1 (0.40) USP1WDR48NPC1RAB9AMAPT
SCHEMBL9055482 0.83 MMP2 (0.41) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL6697908 0.81 ALOX15 (0.38) USP1WDR48SMN1; SMN2NPC1RAB9A
SCHEMBL8138450 0.77 USP1 (0.38) USP1WDR48SMN1; SMN2NPC1RAB9A
SCHEMBL7895962 0.77 USP1 (0.38) USP1WDR48SMN1; SMN2NPC1RAB9A
SCHEMBL3384117 0.76 USP1 (0.40) USP1WDR48SMN1; SMN2NPC1RAB9A
SCHEMBL8026358 0.75 USP1 (0.37) USP1WDR48SMN1; SMN2NPC1RAB9A
SCHEMBL4046759 0.73 USP1 (0.38) USP1WDR48SMN1; SMN2NPC1RAB9A
SCHEMBL4054286 0.73 SMN1; SMN2 (0.44) USP1WDR48SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10676423-B2 Structure and synthesis of highly fluorinated amino acid derivatives THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2020-06-09 US disclosed
US-20200123099-A1 Structure and Synthesis of Highly Fluorinated Amino Acid Derivatives UNIV OKLAHOMA STATE (US) 2020-04-23 US disclosed
WO-2018156500-A1 STRUCTURE AND SYNTHESIS OF HIGHLY FLUORINATED AMINO ACID DERIVATIVES THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2018-08-30 WO disclosed
US-20160221941-A1 SELENOCYSTINE DERIVATIVES, ALPHA-METHYLSELENOCYSTEINE, ALPHA-METHYLSELENOCYSTEINE DERIVATIVES, AND METHODS OF MAKING AND USING SAME UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2016-08-04 US disclosed
US-20160221941-A1 SELENOCYSTINE DERIVATIVES, ALPHA-METHYLSELENOCYSTEINE, ALPHA-METHYLSELENOCYSTEINE DERIVATIVES, AND METHODS OF MAKING AND USING SAME UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2016-08-04 US disclosed
US-20160221941-A1 SELENOCYSTINE DERIVATIVES, ALPHA-METHYLSELENOCYSTEINE, ALPHA-METHYLSELENOCYSTEINE DERIVATIVES, AND METHODS OF MAKING AND USING SAME UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2016-08-04 US disclosed
US-8552206-B2 NF-κB inhibitors and uses thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2013-10-08 US disclosed
US-7858808-B2 Multi-substituted imidazolines and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2010-12-28 US disclosed
US-20100204260-A1 Multi-Substituted Imidazolines And Method Of Use Thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2010-08-12 US disclosed
US-7652056-B2 Using 4-imidazoline carboxylic acid or ester; antiinflammatory agents; microbiocides; bactericides; antitumor agenst0 BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2010-01-26 US disclosed
WO-2003101954-A2 NF-KB INHIBITORS AND USES THEREOF MICHIGAN STATE UNIVERSITY (US) 2003-12-11 WO disclosed
WO-2003101969-A1 MULTI-SUBSTITUDED IMIDAZOLINES AND METHOD OF USE THEREOF MICHIGAN STATE UNIVERSITY (US) 2003-12-11 WO disclosed
EP-0977742-B1 THE PREPARATION OF ENANTIOMERICALLY ENRICHED OXAZOLONES AND ALPHA, ALPHA-DISUBSTITUTED AMINO ACIDS UNIV LELAND STANFORD JUNIOR (US) 2003-09-10 EP disclosed
US-6130337-A ALKYLATING AN ALLYLIC ELECTROPHILE WITH A 5-OXAZOLONE IN PRESENCE OF A BASE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-10-10 US disclosed
EP-0977742-A1 THE PREPARATION OF ENANTIOMERICALLY ENRICHED OXAZOLONES AND ALPHA, ALPHA-DISUBSTITUTED AMINO ACIDS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-02-09 EP disclosed
WO-1998046578-A1 THE PREPARATION OF ENANTIOMERICALLY ENRICHED OXAZOLONES AND α,α-DISUBSTITUTED AMINO ACIDS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1998-10-22 WO disclosed
US-5541080-A SOLVOLYSIS WITH METHANOL IN PRESENCE OF A LIPASE IN NON-POLAR SOLVENT FOLLOWED BY ENANTIOSELECTIVELY CLEAVING ESTER WITH A PROTEASE WISCONSIN ALUMNI RESEARCH FDN. (US) 1996-07-30 US disclosed
US-5219731-A Cleaving an oxazolone precursor with lipase WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1993-06-15 US disclosed
US-4339589-A Preparation of 4-substituted oxazolidin-5-ones BASF AKTIENGESELLSCHAFT (DE) 1982-07-13 US disclosed
US-4264771-A Alkylation of substituted oxazolinone-(5) compounds BASF AKTIENGESELLSCHAFT (DE) 1981-04-28 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 (4 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-20200123099-A1 Structure and Synthesis of Highly Fluorinated Amino Acid Derivatives PFAS, BCAT2, SLC7A1 USP1 1276/4885WDR48 3100/4885SMN1; SMN2 3762/4885
US-20160221941-A1 SELENOCYSTINE DERIVATIVES, ALPHA-METHYLSELENOCYSTEINE, ALPHA-METHYLSELENOCYSTEINE DERIVATIVES, AND METHODS OF MAKING AND USING SAME SCLY, SELENOI, BHMT USP1 552/4885WDR48 3908/4885SMN1; SMN2 1572/4885
US-10676423-B2 Structure and synthesis of highly fluorinated amino acid derivatives PFAS, BCAT2, SLC7A1 USP1 1276/4885WDR48 3100/4885SMN1; SMN2 3762/4885
US-20100204260-A1 Multi-Substituted Imidazolines And Method Of Use Thereof NFKBIA, IKBKB, CHUK USP1 2542/4885WDR48 3041/4885SMN1; SMN2 1853/4885

“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.