SCHEMBL16244166

SCHEMBL16244166

NC(=O)OCCc1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.53
LMNA P02545 1/20 0.51
PARP15 Q460N3 2/20 0.49
PARP10 Q53GL7 2/20 0.49
PARP14 Q460N5 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
HCAR2 Q8TDS4 1/20 0.47
PARP1 P09874 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 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
SCHEMBL14852200 0.83 MAOB (0.49) TAAR1IDO1AGXTHCAR2MMP1
SCHEMBL5273780 0.83 HCAR2 (0.60) TAAR1PARP15PARP10PARP14IDO1
SCHEMBL3878665 0.81 LMNA (0.53) LMNAHCAR2L3MBTL1
SCHEMBL28042903 0.81 TYR (0.61) TAAR1LMNAIDO1
SCHEMBL2051562 0.81 TAAR1 (0.50) TAAR1LMNASIRT2HCAR2
SCHEMBL16244351 0.80 HTR3E (0.54) TAAR1LMNASIRT2IDO1AGXT
SCHEMBL14432434 0.80 TAAR1 (0.53) TAAR1LMNASIRT2IDO1PARP1
SCHEMBL28321491 0.80 TAAR1 (0.53) TAAR1LMNAPARP10SIRT2IDO1
SCHEMBL21268694 0.80 HCAR2 (0.50) TAAR1HCAR2MMP1MMP2MMP9
SCHEMBL21815750 0.80 ESR1 (0.59) LMNAHCAR2L3MBTL1MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 CN disclosed
CN-106977425-B Hydroxamic acid derivs and the preparation method and application thereof with dnmt rna and histon deacetylase (HDAC) inhibitory activity 清华大学深圳研究生院 2019-07-19 CN disclosed
CN-108699038-A Loop coil heptane salicylamide and related compound as Rock inhibitor 百时美施贵宝公司 2018-10-23 CN disclosed
CN-106977425-A Hydroxamic acid derivs with dnmt rna and histon deacetylase (HDAC) inhibitory activity and preparation method and application 清华大学深圳研究生院 2017-07-25 CN disclosed
EP-3022182-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-05-25 EP 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
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 WO 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
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 CN 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 TAAR1 1325/4885LMNA 3306/4885PARP15 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.