SCHEMBL2187086

SCHEMBL2187086

C=CCOC(=O)Cc1cn(CC=C)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
CREBBP Q92793 2/20 0.43
ALOX5 P09917 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CDC25A P30304 1/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ICMT O60725 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MCL1 Q07820 2/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
PLK1 P53350 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5325967 0.83 L3MBTL1 (0.51) L3MBTL1CREBBPNPSR1CDC25ACYP3A4
SCHEMBL2187777 0.82 CDC25A (0.59) CREBBPALOX5CDC25AMEN1KMT2A
SCHEMBL27379311 0.77 PLA2G2A (0.49) ALOX5CDC25AMEN1KMT2AICMT
SCHEMBL1520654 0.77 ALOX5 (0.52) ALOX5NPSR1MEN1KMT2AICMT
SCHEMBL28030373 0.76 CYP3A4 (0.56) L3MBTL1NPSR1CYP3A4MEN1KMT2A
SCHEMBL8335058 0.74 ALOX5 (0.49) ALOX5NPSR1MEN1KMT2AICMT
SCHEMBL6111306 0.74 ALOX5 (0.49) ALOX5NPSR1MEN1KMT2AICMT
SCHEMBL20829827 0.73 ALDH1A1 (0.51) ALOX5MEN1KMT2AALDH1A1LMNA
SCHEMBL28521498 0.73 TDP1 (0.54) L3MBTL1NPSR1CYP3A4MEN1KMT2A
SCHEMBL18171795 0.73 ALDH1A1 (0.66) L3MBTL1CREBBPALOX5NPSR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343285-B1 Peptoid compounds useful as antibiotics UNIV WOLLONGONG (AU) 2015-02-25 EP disclosed
US-8481587-B2 Substituted 2-(5-hydroxy-2-methyl-1H-indole-3-yl)acetic acids and ethers thereof and the use of same to treat viral diseases IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2013-07-09 US disclosed
US-20120108499-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2012-05-03 US disclosed
US-20120108499-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2012-05-03 US disclosed
US-20120108499-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2012-05-03 US disclosed
US-20110230524-A1 SUBSTITUTED 2-(5-HYDROXY-2-METHYL-1H-INDOLE-3-YL)ACETIC ACIDS AND ETHERS THEREOF AND THE USE OF SAME TO TREAT VIRAL DISEASES ALLA CHEM, LLC. 2011-09-22 US disclosed
EP-2343285-A2 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2011-07-13 EP disclosed
EP-2343285-A2 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2011-07-13 EP disclosed
US-20100167995-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2010-07-01 US disclosed
US-20100167995-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2010-07-01 US disclosed
EP-1412336-A4 PEPTOID COMPOUNDS UNIV WOLLONGONG (AU) 2007-08-29 EP disclosed
US-20070111927-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2007-05-17 US disclosed
US-20070111927-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2007-05-17 US disclosed
US-20070111927-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2007-05-17 US disclosed
US-7160854-B2 Binaphthyl peptidomimetics for treating vancomycin resistant Staphylococcus aureas infections UNIVERSITY OF WOLLONGONG (AU) 2007-01-09 US disclosed
US-7160854-B2 Binaphthyl peptidomimetics for treating vancomycin resistant Staphylococcus aureas infections UNIVERSITY OF WOLLONGONG (AU) 2007-01-09 US disclosed
US-7160854-B2 Binaphthyl peptidomimetics for treating vancomycin resistant Staphylococcus aureas infections UNIVERSITY OF WOLLONGONG (AU) 2007-01-09 US disclosed
US-20050043509-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG 2005-02-24 US disclosed
EP-1412336-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2004-04-28 EP disclosed
WO-2003002545-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2003-01-09 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-20120108499-A1 PEPTOID COMPOUNDS VIP, FPR1, VIPR1 L3MBTL1 3853/4885CREBBP 1257/4885ALOX5 1972/4885
US-20100167995-A1 PEPTOID COMPOUNDS VIP, FPR1, VIPR1 L3MBTL1 3853/4885CREBBP 1257/4885ALOX5 1972/4885
US-20110230524-A1 SUBSTITUTED 2-(5-HYDROXY-2-METHYL-1H-INDOLE-3-YL)ACETIC ACIDS AND ETHERS THEREOF AND THE USE OF SAME TO TREAT VIRAL DISEASES IDO1, TPH1, FOXM1 L3MBTL1 1097/4885CREBBP 2419/4885ALOX5 774/4885
US-20070111927-A1 Peptoid compounds VIP, FPR1, VIPR1 L3MBTL1 3853/4885CREBBP 1257/4885ALOX5 1972/4885
US-20050043509-A1 Peptoid compounds VIP, FPR1, VIPR1 L3MBTL1 3853/4885CREBBP 1257/4885ALOX5 1972/4885

“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.