SCHEMBL1252508

SCHEMBL1252508

CNCc1cccc(OC)c1OCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
CRHBP P24387 1/20 0.43
MAPK1 P28482 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 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
SCHEMBL1254107 0.83 KMT2A (0.55) BCHEALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL680393 0.82 ALDH1A1 (0.58) ALDH1A1HTTKDM4EL3MBTL1POLB
SCHEMBL29875218 0.82 ALDH1A1 (0.58) ALDH1A1HTTKDM4EL3MBTL1POLB
SCHEMBL1251862 0.81 GAA (0.58) BCHEALDH1A1HPGDHTTKDM4E
SCHEMBL16473772 0.81 SCN4A (0.49) TSHRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL1254214 0.80 SMN1; SMN2 (0.51) BCHEKDM4EL3MBTL1TSHRSMN1; SMN2
SCHEMBL22957886 0.79 MCL1 (0.55) ALDH1A1L3MBTL1POLBSLC6A2SLC6A4
SCHEMBL1252509 0.79 TAAR1 (0.56) BCHEHPGDHTTSMN1; SMN2
SCHEMBL16479209 0.76 SCN4A (0.53) TSHRSMN1; SMN2SLC6A4KCNH2CYP1A2
SCHEMBL22114346 0.75 SMN1; SMN2 (0.52) ALDH1A1HPGDHTTL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2848614-A2 Acrylamide derivatives as antibiotic agents Debiopharm International SA (CH) 2015-03-18 EP disclosed
EP-2848614-A2 Acrylamide derivatives as antibiotic agents Debiopharm International SA (CH) 2015-03-18 EP disclosed
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME AFFINIUM PHARMACEUTICALS, INC. (CA) 2014-04-17 US disclosed
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME AFFINIUM PHARMACEUTICALS, INC. (CA) 2014-04-17 US disclosed
US-8450307-B2 Therapeutic agents, and methods of making and using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-05-28 US disclosed
US-8450307-B2 Therapeutic agents, and methods of making and using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-05-28 US disclosed
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 US disclosed
US-7879872-B2 comprising (E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide or pharmaceutically acceptable salts thereof; and gentamicin; wherein combination has an fractional inhibitory coconcentration index value of 0.3 against S. aureus 29213 AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-02-01 US disclosed
US-20100093705-A1 Therapeutic agents, and methods of making and using the same DEBIOPHARM INTERNATIONAL SA (CH) 2010-04-15 US disclosed
US-20100093705-A1 Therapeutic agents, and methods of making and using the same DEBIOPHARM INTERNATIONAL SA (CH) 2010-04-15 US disclosed
US-20100093705-A1 Therapeutic agents, and methods of making and using the same DEBIOPHARM INTERNATIONAL SA (CH) 2010-04-15 US disclosed
EP-1828167-A2 ACRYLAMIDE DERIVATIVES AS ANTIBIOTIC AGENTS Affinium Pharmaceuticals, Inc. (CA) 2007-09-05 EP disclosed
WO-2007053131-A2 ACRYLAMIDE DERIVATIVES AS ANTIBIOTIC AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-05-10 WO disclosed
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-06-29 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-20100093705-A1 Therapeutic agents, and methods of making and using the same MCL1, DHFR, ANXA5 BCHE 746/4885ALDH1A1 2015/4885HPGD 999/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF BCHE 980/4885ALDH1A1 4188/4885HPGD 2385/4885
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME MCL1, DHFR, ANXA5 BCHE 746/4885ALDH1A1 2015/4885HPGD 999/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF BCHE 980/4885ALDH1A1 4188/4885HPGD 2385/4885

“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.