SCHEMBL10256807

SCHEMBL10256807

CCCCOC(=O)c1ccc[n+](C)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 4/20 0.54
TSHR P16473 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
ESR1 P03372 2/20 0.54
CYP2D6 P10635 1/20 0.54
MAPK1 P28482 1/20 0.54
NR1H2 P55055 1/20 0.54
RNASEL Q05823 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
PDE4D Q08499 1/20 0.53
NNMT P40261 1/20 0.50
USP2 O75604 1/20 0.50
STS P08842 1/20 0.50

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
Iodide SCHEMBL2761176 0.98 L3MBTL1 (0.54) L3MBTL1LMNATSHRCYP1A2CYP2C19
SCHEMBL10257278 0.94 LMNA (0.57) LMNATSHRESR1MAPK1CYP3A4
SCHEMBL2761345 0.87 STS (0.48) LMNATSHRMAPK1STS
Hydrochloric Acid SCHEMBL5987743 0.86 LMNA (0.52) L3MBTL1LMNATSHRMAPK1CYP3A4
Iodide SCHEMBL5986679 0.86 LMNA (0.49) LMNATSHRMAPK1CYP3A4STS
SCHEMBL10307402 0.84 GLA (0.58) L3MBTL1LMNATSHRCYP1A2ESR1
Pralidoxime SCHEMBL11641248 0.82 KDM4E (0.51) L3MBTL1TSHRSMN1; SMN2PDE4D
SCHEMBL14067665 0.80 NNMT (0.54) LMNATSHRMAPK1NNMTUSP2
SCHEMBL8728841 0.79 LMNA (0.53) L3MBTL1LMNATSHRMAPK1TDP1
SCHEMBL1869078 0.79 LMNA (0.79) L3MBTL1LMNATSHRCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-7973030-B2 Benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-07-05 US disclosed
US-7803792-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2010-09-28 US disclosed
US-7312208-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-12-25 US disclosed
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 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-20070203115-A1 Novel quaternary ammonium compounds SLC10A2, SLC10A1, ABCB11 L3MBTL1 4652/4885LMNA 4674/4885TSHR 3847/4885
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS SLC10A1, SREBF1, SPTLC1 L3MBTL1 981/4885LMNA 1909/4885TSHR 3208/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 L3MBTL1 427/4885LMNA 2785/4885TSHR 2972/4885

“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.