SCHEMBL6901937

SCHEMBL6901937

NC(=O)OCc1cccc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.60
IDO1 P14902 2/20 0.59
AGXT P21549 2/20 0.59
MAOB P27338 7/20 0.59
PARP10 Q53GL7 1/20 0.59
MMP1 P03956 1/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP12 P39900 1/20 0.56
NR4A2 P43354 2/20 0.53
KDM4E B2RXH2 3/20 0.52
GAA P10253 1/20 0.52
STAT1 P42224 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPK1 P28482 1/20 0.50

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
SCHEMBL29747227 1.00 HCAR2 (0.60) HCAR2IDO1AGXTMAOBPARP10
SCHEMBL4427972 0.88 MAOB (0.71) MAOBPARP10NR4A2
SCHEMBL9677464 0.87 LMNA (0.48) HCAR2MAOBPARP10MAPK1
SCHEMBL28707037 0.85 HCAR2 (0.64) HCAR2IDO1AGXTMAOBPARP10
SCHEMBL1787511 0.85 HCAR2 (0.64) HCAR2IDO1AGXTMAOBPARP10
SCHEMBL1787512 0.84 HCAR2 (0.67) HCAR2IDO1AGXTMAOBPARP10
SCHEMBL28321491 0.83 TAAR1 (0.53) HCAR2IDO1AGXTMAOBPARP10
SCHEMBL20493836 0.82 AGXT (0.65) HCAR2AGXTMAOBPARP10MMP1
SCHEMBL27795850 0.82 LMNA (0.42) HCAR2MAOBPARP10MMP1MMP2
SCHEMBL17011459 0.82 IDO1 (0.59) HCAR2IDO1AGXTMAOBPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115477634-B Analgesic compounds and medical uses thereof 中国人民解放军军事科学院军事医学研究院 2024-02-13 CN disclosed
EP-4274569-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER Anima Biotech Inc. (US) 2023-11-15 EP disclosed
CN-115477634-A Compound for analgesia and medical application thereof 中国人民解放军军事科学院军事医学研究院 2022-12-16 CN disclosed
WO-2022150316-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER ANIMA BIOTECH INC. (US) 2022-07-14 WO disclosed
CN-112159401-B Biased agonist and medical application thereof 中国人民解放军军事科学院军事医学研究院 2022-06-03 CN disclosed
CN-112159401-A Biased agonist and medical application thereof 中国人民解放军军事科学院军事医学研究院 2021-01-01 CN disclosed
US-10550112-B2 Pyrimidines as EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-02-04 US disclosed
CN-110506037-A Aryl cyclopropyl-amino-isoquinolin amide compound AERIE PHARMACEUTICALS INC 2019-11-26 CN disclosed
CN-110073005-A Method for detecting norovirus 奎斯特诊断投资有限责任公司 2019-07-30 CN disclosed
US-20180194758-A1 NOVEL PYRIMIDINES AS EGFR INHIBITORS AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-12 US disclosed
EP-3325469-A1 NOVEL PYRIMIDINES AS EGFR INHIBITORS AND METHODS OF TREATING DISORDERS Dana Farber Cancer Institute, Inc. (US) 2018-05-30 EP disclosed
WO-2017015363-A1 NOVEL PYRIMIDINES AS EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-01-26 WO disclosed
EP-2755949-B1 FUNGICIDAL 4-SUBSTITUTED-3-{PHENYL[(HETEROCYCLYLMETHOXY)IMINO]METHYL}-1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES BAYER IP GMBH (DE) 2015-10-21 EP disclosed
US-9090600-B2 Fungicidal 4-substituted-3-{phenyl[(heterocyclylmethoxy)imino]methyl}-1,2,4-oxadizol-5(4H)-one derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-28 US disclosed
US-20140349848-A1 FUNGICIDAL 4-SUBSTITUTED-3--1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 US disclosed
WO-2011060321-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2011-05-19 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 (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-20140349848-A1 FUNGICIDAL 4-SUBSTITUTED-3--1,2,4-OXADIZOL-5(4H)-ONE DERIVATIVES CYP4X1, CYP4B1, CYP4Z1 HCAR2 2991/4885IDO1 112/4885AGXT 192/4885
US-10550112-B2 Pyrimidines as EGFR inhibitors and methods of treating disorders EGFR, ERBB2, ERBB3 HCAR2 2583/4885IDO1 2193/4885AGXT 482/4885
US-20180194758-A1 NOVEL PYRIMIDINES AS EGFR INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB3 HCAR2 3258/4885IDO1 2198/4885AGXT 835/4885

“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.