SCHEMBL3788752

SCHEMBL3788752

Cc1c(C)n(C)c(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM1A O60341 1/20 0.39
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
PMP22 Q01453 1/20 0.38
EPHX2 P34913 1/20 0.36
MAPK10 P53779 1/20 0.35
TYMP P19971 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL9592609 0.76 EPHX2 (0.42) DAOALDH1A1KDM4EMAPTHPGD
SCHEMBL15667389 0.76 EPHX2 (0.50) DAOALDH1A1KDM4EMAPTHPGD
SCHEMBL15666274 0.76 CSNK2A2 (0.41) DAOALDH1A1KDM4EMAPTHPGD
SCHEMBL1738351 0.76 CSNK2A2 (0.45) DAOALDH1A1KDM4EMAPTHPGD
SCHEMBL14394195 0.76 GAA (0.42) DAOALDH1A1KDM4EMAPTHPGD
SCHEMBL19194277 0.76 DAO (0.38) DAOALDH1A1KDM4EMAPTHPGD
SCHEMBL16480072 0.74
SCHEMBL9972763 0.73 SMN1; SMN2 (0.49) DAOALDH1A1KDM4EMAPTHPGD
SCHEMBL17493237 0.70 PKM (0.42) DAOALDH1A1KDM4EMAPTHPGD
SCHEMBL9034301 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216414-A1 Antiviral Agents and Nucleoside Analogs for Treatment of Zika Virus UNIV EMORY (US) 2024-07-04 US disclosed
US-20230357204-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS MERCK SHARP & DOHME LLC (US) 2023-11-09 US disclosed
US-9809616-B2 Pyrimidine nucleosides and their monophosphate prodrugs for the treatment of viral infections and cancer EMORY UNIVERSITY (US) 2017-11-07 US disclosed
US-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 US disclosed
US-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-04-14 US disclosed
WO-2015196128-A2 ALTERNATIVE NUCLEIC ACID MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2015-12-23 WO disclosed
US-9216999-B2 Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 US disclosed
US-20140235566-A1 PYRIMIDINE NUCLEOSIDES AND THEIR MONOPHOSPHATE PRODRUGS FOR TREATMENT OF VIRAL INFECTIONS AND CANCER EMORY UNIVERSITY (US) 2014-08-21 US disclosed
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-07-17 US disclosed
US-20130203991-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators ASTRAZENECA R&D ALDERLY PARK (GB) 2013-08-08 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-7462608-B2 Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2008-12-09 US disclosed
US-7018786-B2 Toning agents for use in thermographic recording materials AGFA GEVAERT (BE) 2006-03-28 US disclosed
US-20040152027-A1 Toning agents for use in thermographic recording materials AGFA-GEVAERT (BE) 2004-08-05 US disclosed
EP-1435298-A2 Toning agents for use in thermographic and photothermographic recording materials Agfa-Gevaert (BE) 2004-07-07 EP disclosed
WO-1990015057-A1 HETEROCYCLIC COMPOUNDS CIBA-GEIGY AG (CH) 1990-12-13 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 (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-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 DAO 1511/4885ALDH1A1 3086/4885KDM4E 999/4885
US-20140235566-A1 PYRIMIDINE NUCLEOSIDES AND THEIR MONOPHOSPHATE PRODRUGS FOR TREATMENT OF VIRAL INFECTIONS AND CANCER PNP, TYMP, TK1 DAO 2729/4885ALDH1A1 2179/4885KDM4E 1767/4885
US-20230357204-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS ACIN1, REV1, NFATC1 DAO 2304/4885ALDH1A1 3081/4885KDM4E 3817/4885
US-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 DAO 2538/4885ALDH1A1 1852/4885KDM4E 2348/4885
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 DAO 723/4885ALDH1A1 1732/4885KDM4E 1930/4885
US-20130203991-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 DAO 3231/4885ALDH1A1 2139/4885KDM4E 4665/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 DAO 2538/4885ALDH1A1 1852/4885KDM4E 2348/4885
US-20240216414-A1 Antiviral Agents and Nucleoside Analogs for Treatment of Zika Virus SAMHD1, PNP, NUDT1 DAO 800/4885ALDH1A1 1005/4885KDM4E 1629/4885

“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.