SCHEMBL9201869

SCHEMBL9201869

Cc1ccc(CC(N)C(N)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.48
PTGS1 P23219 2/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
XIAP P98170 1/20 0.47
DPP4 P27487 3/20 0.46
FAP Q12884 2/20 0.46
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 2/20 0.46
DPP7 Q9UHL4 2/20 0.46
EPHX1 P07099 1/20 0.46
ACACB O00763 1/20 0.45
TPH1 P17752 2/20 0.45
LTA4H P09960 1/20 0.43
IDO1 P14902 1/20 0.41
CSK P41240 1/20 0.41
GRB2 P62993 1/20 0.41
PARP10 Q53GL7 1/20 0.41
SLC15A1 P46059 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL14927672 1.00 SLC7A5 (0.48) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL9201871 1.00 SLC7A5 (0.48) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL13323408 0.86 SLC7A5 (0.50) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL4672949 0.86 SLC7A5 (0.50) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL14387733 0.86 SLC7A5 (0.50) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL192235 0.84 SLC7A5 (0.69) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL44871 0.84 SLC7A5 (0.69) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL44872 0.84 SLC7A5 (0.69) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL3920419 0.82 SLC7A5 (0.67) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL16421594 0.82 KMT2A (0.55) SLC7A5PTGS1ALPIPKMXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180215704-A1 ANTIBACTERIALS AND/OR MODULATORS OF BIOFILM FORMATION AND METHODS OF USING THE SAME INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-08-02 US disclosed
US-20170044097-A1 ANTIBACTERIALS AND/OR MODULATORS OF BIOFILM FORMATION AND METHODS OF USING THE SAME INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-02-16 US disclosed
US-20120329775-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 FORD RHONAN (GB) 2012-12-27 US disclosed
US-8193239-B2 Substituted 1-cyanoethylheterocyclylcarboxamide compounds ASTRAZENECA AB (SE) 2012-06-05 US disclosed
US-20100286118-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 ASTRAZENECA AB (SE) 2010-11-11 US disclosed
EP-0495013-B1 HEXAPEPTIDES WITH SULPHATE ESTER GROUPS FISONS CORP (US) 1995-03-08 EP disclosed
EP-0226217-B1 Peptides with sulfate ester group FISONS CORP (US) 1994-01-26 EP 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-20100286118-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CNR2 SLC7A5 2891/4885PTGS1 1633/4885ALPI 2408/4885
US-20180215704-A1 ANTIBACTERIALS AND/OR MODULATORS OF BIOFILM FORMATION AND METHODS OF USING THE SAME NRDC, FIBP, BMP2 SLC7A5 2555/4885PTGS1 1243/4885ALPI 853/4885
US-20170044097-A1 ANTIBACTERIALS AND/OR MODULATORS OF BIOFILM FORMATION AND METHODS OF USING THE SAME NRDC, FIBP, BMP2 SLC7A5 2555/4885PTGS1 1243/4885ALPI 853/4885
US-20120329775-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CNR2 SLC7A5 2891/4885PTGS1 1633/4885ALPI 2408/4885

“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.