SCHEMBL893181

SCHEMBL893181

COc1ccc(CN(CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)C(=O)OCc2scnc2OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
LPAR1 Q92633 4/20 0.38
MAPK1 P28482 1/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
LPAR5 Q9H1C0 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
SNCA P37840 1/20 0.36

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
SCHEMBL4252383 0.92 TSHR (0.43) L3MBTL1TSHRTDP1LPAR1MAPK1
SCHEMBL893827 0.86 CYP3A4 (0.48) TSHRTDP1PPARGPPARA
SCHEMBL893102 0.82 HDAC3 (0.44) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL4251206 0.81 ALOX5 (0.43) L3MBTL1
SCHEMBL893180 0.79 CYP3A4 (0.45) L3MBTL1TSHRTDP1ALDH1A1NPSR1
SCHEMBL893430 0.78 HDAC3 (0.40) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL893678 0.76 CYP3A4 (0.55) HDAC3HDAC1HDAC2NCOR2TDP1
SCHEMBL893517 0.75 CYP3A4 (0.48) L3MBTL1TDP1
SCHEMBL25047613 0.74 LTA4H (0.53) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL3510728 0.73 TSHR (0.51) L3MBTL1HDAC3HDAC1HDAC2NCOR2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2465856-A2 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 EP claimed
US-20080161246-A1 Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example ABBOTT LABORATORIES (US) 2008-07-03 US claimed
US-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-08-28 US disclosed
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2013-05-23 US disclosed
US-20120309762-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-12-06 US disclosed
EP-2465855-A1 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 EP disclosed
US-20120083490-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-04-05 US disclosed
EP-2081917-A2 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF Abbott Laboratories (US) 2009-07-29 EP disclosed
US-20080161246-A1 Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example ABBOTT LABORATORIES (US) 2008-07-03 US disclosed
WO-2008027932-A2 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-03-06 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 (5 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-20120083490-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR L3MBTL1 4679/4885HDAC3 1459/4885HDAC1 1282/4885
US-20080161246-A1 Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example CYP3A4, CYP3A5, CYP2B6 L3MBTL1 4248/4885HDAC3 234/4885HDAC1 220/4885
US-20120309762-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR L3MBTL1 4679/4885HDAC3 1459/4885HDAC1 1282/4885
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR L3MBTL1 4679/4885HDAC3 1459/4885HDAC1 1282/4885
US-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR L3MBTL1 4679/4885HDAC3 1459/4885HDAC1 1282/4885

“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.