SCHEMBL1124607

SCHEMBL1124607

CCOC(=O)C(=O)c1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
GSK3B P49841 1/20 0.47
DNTT P04053 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
RAB9A P51151 1/20 0.47
ELANE P08246 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
GPR35 Q9HC97 1/20 0.46
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
ADRB2 P07550 1/20 0.43

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
SCHEMBL14518034 0.85 FNTA (0.47) FNTAFNTBALDH1A1MAPTGSK3B
SCHEMBL14194388 0.85 ALDH1A1 (0.46) FNTAFNTBALDH1A1MAPTGSK3B
SCHEMBL13884590 0.83 ALDH1A1 (0.47) FNTAFNTBALDH1A1MAPTGSK3B
SCHEMBL1365179 0.82 CA12 (0.61) ALDH1A1MAPTGSK3BCA1CA2
SCHEMBL28306812 0.82 CA12 (0.61) ALDH1A1MAPTGSK3BCA1CA2
SCHEMBL934877 0.81 DNTT (0.55) ALDH1A1MAPTGSK3BDNTTCA1
SCHEMBL3214756 0.81 PDCD1 (0.58) FNTAFNTBALDH1A1MAPTGSK3B
SCHEMBL14194361 0.81 ALDH1A1 (0.48) FNTAFNTBALDH1A1MAPTGSK3B
SCHEMBL7453334 0.81 ALDH1A1 (0.44) FNTAFNTBALDH1A1MAPTGSK3B
SCHEMBL28991338 0.80 CA1 (0.52) ALDH1A1MAPTGSK3BCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2713736-B1 NOVEL IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS INC (US) 2023-08-02 EP disclosed
US-11267826-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2022-03-08 US disclosed
US-20200138030-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-05-07 US disclosed
EP-3630783-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2020-04-08 EP disclosed
US-20200102331-A1 PENICILLIN-BINDING PROTEIN INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-02 US disclosed
US-20200102331-A1 PENICILLIN-BINDING PROTEIN INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-02 US disclosed
US-10555526-B2 Substituted oxadiazoles for combating phytopathogenic fungi BASF SE 2020-02-11 US disclosed
WO-2018218154-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2018-11-29 WO disclosed
US-20180317491-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2018-11-08 US disclosed
US-10117875-B2 Immune system modulators JANUS BIOTHERAPEUTICS, INC. (US) 2018-11-06 US disclosed
US-7323570-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2008-01-29 US disclosed
WO-2007087129-A2 FLUORINATED ARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO disclosed
WO-2007055941-A2 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK & CO., INC. (US) 2007-05-18 WO disclosed
US-20070043000-A1 Immunosuppresive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2007-02-22 US disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
EP-1636232-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-03-22 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 US disclosed
WO-2004104005-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-12-02 WO disclosed
EP-1479682-A1 Immunosuppressive effects of pteridine derivatives 4 AZA Bioscience nv (BE) 2004-11-24 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 (8 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-11267826-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL FNTA 263/4885FNTB 34/4885ALDH1A1 2794/4885
US-10555526-B2 Substituted oxadiazoles for combating phytopathogenic fungi CYP51A1, OSR1, PAOX FNTA 2671/4885FNTB 2590/4885ALDH1A1 1187/4885
US-20070043000-A1 Immunosuppresive effects of pteridine derivatives TPMT, FKBP5, RRP15 FNTA 1664/4885FNTB 3668/4885ALDH1A1 1767/4885
US-20180317491-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, OSR1, PAOX FNTA 2671/4885FNTB 2590/4885ALDH1A1 1187/4885
US-20200102331-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL FNTA 263/4885FNTB 34/4885ALDH1A1 2794/4885
US-20200138030-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, OSR1, PAOX FNTA 2671/4885FNTB 2590/4885ALDH1A1 1187/4885
US-10117875-B2 Immune system modulators HLA-DRB1, CD47, MYD88 FNTA 2710/4885FNTB 4649/4885ALDH1A1 1649/4885
US-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 FNTA 503/4885FNTB 626/4885ALDH1A1 1202/4885

“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.