SCHEMBL2840420

SCHEMBL2840420

CCc1c([C@@H](C)NC)oc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.55
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
LMNA P02545 3/20 0.37
TP53 P04637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTPN1 P18031 2/20 0.36
CA2 P00918 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CAPN1 P07384 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
EYA3 Q99504 1/20 0.35
AGPAT2 O15120 1/20 0.35
MEN1 O00255 1/20 0.35
ABCB11 O95342 1/20 0.35

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
SCHEMBL4102929 1.00 ABCB1 (0.55) ABCB1ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL13320401 0.83 ABCB1 (0.56) ABCB1ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL4095188 0.80 ABCB1 (0.54) ABCB1ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL14493816 0.80 ABCB1 (0.48) ABCB1ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL2845026 0.78 KDM4E (0.39) ABCB1ALDH1A1TSHRL3MBTL1LMNA
SCHEMBL2845027 0.78 KDM4E (0.39) ABCB1ALDH1A1TSHRL3MBTL1LMNA
SCHEMBL13800027 0.78 ABCB1 (0.46) ABCB1ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL721278 0.75 ABCB1 (0.63) ABCB1ALDH1A1L3MBTL1LMNATP53
SCHEMBL717390 0.75 ABCB1 (0.49) ABCB1ALDH1A1TSHRALOX15L3MBTL1
SCHEMBL16473771 0.73 ABCB1 (0.46) ABCB1ALDH1A1TSHRLMNATP53

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-2687533-B1 Acrylamide derivatives as FAB I inhibitors DEBIOPHARM INT SA (CH) 2017-07-19 EP disclosed
EP-2054422-B1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS DEBIOPHARM INT SA (CH) 2017-06-14 EP disclosed
US-8895545-B2 Acrylamide derivatives as Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2014-11-25 US disclosed
EP-2687533-A2 Acrylamide derivatives as FAB I inhibitors Affinium Pharmaceuticals, Inc. (CA) 2014-01-22 EP disclosed
US-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-09-12 US disclosed
US-8318720-B2 Acrylamide derivatives as Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-11-27 US disclosed
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. 2010-05-27 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 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 (3 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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents GAA, TFPI, DBI ABCB1 972/4885ALDH1A1 2669/4885TSHR 3702/4885
US-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC ABCB1 74/4885ALDH1A1 1379/4885TSHR 3272/4885
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC ABCB1 74/4885ALDH1A1 1379/4885TSHR 3272/4885

“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.