SCHEMBL3757670

SCHEMBL3757670

[CH2]Cc1ccc(C(=O)N(CC)CC)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.58
ALDH1A1 P00352 5/20 0.58
MAPT P10636 2/20 0.58
MLYCD O95822 1/20 0.56
LMNA P02545 3/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HSP90AA1 P07900 5/20 0.50
HSP90AB1 P08238 5/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL5703500 0.85 HPGD (0.73) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL3559829 0.84 HPGD (0.61) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL5543735 0.84 HPGD (0.61) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL6103342 0.82 HPGD (0.59) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL356980 0.81 HPGD (0.58) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL3563407 0.81 ESR1 (0.58) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL1056167 0.81 HPGD (0.58) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL19634392 0.81 HPGD (0.58) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL8755826 0.80 ALDH1A1 (0.53) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL8056783 0.80 ALDH1A1 (0.53) HPGDALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
US-9631048-B2 Sulfonium compounds, their preparation and use BASF SE (DE) 2017-04-25 US disclosed
EP-2838927-A2 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE BASF SE (DE) 2015-02-25 EP disclosed
US-20150044509-A1 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE BASF SE (DE) 2015-02-12 US disclosed
US-20140005301-A1 SULFONIUM SULFATES, THEIR PREPARATION AND USE BASF SE (DE) 2014-01-02 US disclosed
EP-2678311-A1 SULFONIUM SULFATES, THEIR PREPARATION AND USE BASF SE (DE) 2014-01-01 EP disclosed
WO-2013156509-A2 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE BASF SE (DE) 2013-10-24 WO disclosed
WO-2012113829-A1 SULFONIUM SULFATES, THEIR PREPARATION AND USE BASF SE (DE) 2012-08-30 WO disclosed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US 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-20150044509-A1 SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE SQOR, ACSL3, ARSA HPGD 2808/4885ALDH1A1 573/4885MAPT 4477/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 HPGD 2802/4885ALDH1A1 315/4885MAPT 4504/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 HPGD 592/4885ALDH1A1 310/4885MAPT 4244/4885

“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.