SCHEMBL2545484

SCHEMBL2545484

NC(=O)OCCCc1ccccc1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
TAAR1 Q96RJ0 3/20 0.47
PARP10 Q53GL7 1/20 0.44
IDO1 P14902 2/20 0.42
GPR52 Q9Y2T5 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PKM P14618 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL2548713 0.90 TAAR1 (0.50) LMNATAAR1PARP10IDO1GPR52
SCHEMBL6632237 0.83 RAD52 (0.46) LMNATAAR1GPR52SIRT2ALDH1A1
SCHEMBL8703536 0.81 TDP1 (0.64) LMNAGPR52ALDH1A1PKMSMN1; SMN2
SCHEMBL30828055 0.79 TAAR1 (0.53) TAAR1PARP10IDO1GPR52SIRT2
SCHEMBL114463 0.79 PARP10 (0.57) LMNATAAR1PARP10IDO1ALDH1A1
SCHEMBL3634987 0.78 LMNA (0.46) LMNAIDO1FFAR1FFAR4PKM
SCHEMBL13733679 0.78 LMNA (0.61) LMNAFFAR1FFAR4PKMCYP1A2
SCHEMBL28834673 0.78 LMNA (0.57) LMNAPARP10TDP1KMT2A
SCHEMBL27593130 0.78 LMNA (0.57) LMNATAAR1CYP1A2SMN1; SMN2
SCHEMBL28263155 0.76 RIPK1 (0.42) TAAR1GPR52PKMSMN1; SMN2MAPT

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-109111383-B 2-substituted diphenyl sulfide derivative and use thereof 广东东阳光药业有限公司 2020-11-24 CN disclosed
EP-2190811-B1 RENIN INHIBITORS MERCK CANADA INC (CA) 2013-08-07 EP disclosed
US-8334308-B2 Renin inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-8334308-B2 Renin inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-8334308-B2 Renin inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-20110263658-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-10-27 US disclosed
US-20110263658-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-10-27 US disclosed
US-20110263658-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-10-27 US disclosed
EP-2190811-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2010-06-02 EP disclosed
WO-2009023964-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-02-26 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-20110263658-A1 RENIN INHIBITORS REN, ACE, AGTR1 LMNA 1680/4885TAAR1 2165/4885PARP10 2692/4885

“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.