SCHEMBL5766366

SCHEMBL5766366

NC(=O)OCc1ccccc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
MAOB P27338 2/20 0.57
PARP15 Q460N3 2/20 0.57
PARP10 Q53GL7 2/20 0.57
PARP14 Q460N5 1/20 0.57
IDO1 P14902 2/20 0.57
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP12 P39900 1/20 0.53
LMNA P02545 3/20 0.51
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 4/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 6/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 2/20 0.48
SCN3A Q9NY46 1/20 0.48

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
SCHEMBL30211075 1.00 ALDH1A1 (0.64) ALDH1A1MAOBPARP15PARP10PARP14
SCHEMBL29501710 0.86 SMN1; SMN2 (0.48) ALDH1A1MAOBPARP15PARP10PARP14
SCHEMBL28702044 0.84 ALDH1A1 (0.58) ALDH1A1MAOBPARP15PARP10PARP14
SCHEMBL1790733 0.84 ALDH1A1 (0.58) ALDH1A1MAOBPARP15PARP10PARP14
SCHEMBL1790735 0.82 ALDH1A1 (0.56) ALDH1A1MAOBPARP15PARP10PARP14
SCHEMBL15087374 0.81 TAAR1 (0.52) ALDH1A1MAOBPARP15PARP10PARP14
SCHEMBL28782632 0.81 ALDH1A1 (0.42) ALDH1A1MAOBPARP15PARP10PARP14
SCHEMBL5052034 0.81 ALDH1A1 (0.54) ALDH1A1MAOBPARP15PARP10PARP14
SCHEMBL7816660 0.81 ALDH1A1 (0.55) ALDH1A1MAOBPARP15PARP10PARP14
SCHEMBL3231685 0.81 ALDH1A1 (0.59) ALDH1A1MAOBPARP15PARP10PARP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113272272-B RIP1 inhibitors 圣瑞诺有限公司 2023-04-07 CN 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
EP-3883918-A1 RIP1 INHIBITORS Sironax Ltd (KY) 2021-09-29 EP disclosed
CN-113272272-A RIP1 inhibitors 圣瑞诺有限公司 2021-08-17 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
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
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
EP-1732923-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-12-20 EP disclosed
WO-2005099706-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-27 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 (1 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 ALDH1A1 232/4885MAOB 958/4885PARP15 4198/4885

“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.