SCHEMBL535090

SCHEMBL535090

O=C(NCCc1ccccc1Br)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HTT P42858 1/20 0.57
IDO1 P14902 2/20 0.55
TGM2 P21980 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 2/20 0.50
MAPT P10636 1/20 0.49
SLC1A3 P43003 1/20 0.48
SLC1A1 P43005 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KCNK3 O14649 1/20 0.46
KCNA3 P22001 1/20 0.46
KCNA5 P22460 1/20 0.46
KAT2B Q92831 1/20 0.45
GAA P10253 1/20 0.45
TDO2 P48775 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL29682187 1.00 LMNA (0.60) LMNASMN1; SMN2HTTIDO1TGM2
SCHEMBL8583106 0.85 LMNA (0.55) LMNASMN1; SMN2HTTTGM2KEAP1
SCHEMBL6746741 0.84 LMNA (0.61) LMNASMN1; SMN2HTTIDO1TGM2
SCHEMBL4667297 0.84 LMNA (0.61) LMNASMN1; SMN2HTTIDO1TGM2
Benzyl Phenethylcarbamate SCHEMBL4287199 0.83 LMNA (0.73) LMNASMN1; SMN2HTTIDO1TGM2
SCHEMBL21848124 0.83 LMNA (0.60) LMNASMN1; SMN2HTTIDO1TGM2
SCHEMBL29707336 0.82 SMN1; SMN2 (0.52) LMNASMN1; SMN2HTTIDO1TGM2
SCHEMBL10305302 0.81 LMNA (0.61) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL13055383 0.81 LMNA (0.80) LMNASMN1; SMN2HTTIDO1TGM2
SCHEMBL12851863 0.80 TAAR1 (0.56) KMT2AGAATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112724084-B Preparation method of (S) -5-bromo-1, 2,3, 4-tetrahydro-N-Boc-isoquinoline-1-carboxylic acid 上海彩迩文生化科技有限公司 2022-04-22 CN claimed
CN-112724084-A Preparation method of (S) -5-bromo-1, 2,3, 4-tetrahydro-N-Boc-isoquinoline-1-carboxylic acid 南京艾普特生物医药有限公司 2021-04-30 CN claimed
CN-112724084-B Preparation method of (S) -5-bromo-1, 2,3, 4-tetrahydro-N-Boc-isoquinoline-1-carboxylic acid 上海彩迩文生化科技有限公司 2022-04-22 CN disclosed
CN-112724084-A Preparation method of (S) -5-bromo-1, 2,3, 4-tetrahydro-N-Boc-isoquinoline-1-carboxylic acid 南京艾普特生物医药有限公司 2021-04-30 CN disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2011057382-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-05-19 WO disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 LMNA 1880/4885SMN1; SMN2 4604/4885HTT 4056/4885

“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.