SCHEMBL1195259

SCHEMBL1195259

Cc1cc(Cl)ccc1OCC(=O)NCC(O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.62
MAPT P10636 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
TP53 P04637 1/20 0.61
HTT P42858 1/20 0.61
ANO1 Q5XXA6 3/20 0.59
ANO2 Q9NQ90 1/20 0.59
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL1195260 1.00 NPSR1 (0.62) NPSR1MAPTL3MBTL1TP53HTT
SCHEMBL1195279 0.84 NPSR1 (0.65) NPSR1MAPTL3MBTL1TP53HTT
SCHEMBL1195275 0.84 NPSR1 (0.65) NPSR1MAPTL3MBTL1TP53HTT
SCHEMBL1195369 0.82 NPSR1 (0.62) NPSR1MAPTL3MBTL1TP53HTT
SCHEMBL1195316 0.82 NPSR1 (0.62) NPSR1MAPTL3MBTL1TP53HTT
SCHEMBL28001411 0.80 NPSR1 (0.57) NPSR1MAPTL3MBTL1TP53HTT
SCHEMBL28001057 0.80 NPSR1 (0.57) NPSR1MAPTL3MBTL1TP53HTT
SCHEMBL1195476 0.79 ALDH1A1 (0.61) MAPTHTTKMT2AMEN1
SCHEMBL10485687 0.79 ANO1 (0.56) NPSR1MAPTL3MBTL1TP53HTT
SCHEMBL1195477 0.79 ALDH1A1 (0.61) MAPTHTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028562-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2011-02-03 US claimed
US-8841347-B2 Derivatives of aminoalkanols, method of obtaining of aminoalkanols and their use UNIWERSYTET JAGIELLONSKI (PL) 2014-09-23 US disclosed
US-8633251-B2 Derivatives of aminoalkanols, method of obtaining of aminoalkanols and their use UNIWERSYTET JAGIELLONSKI (PL) 2014-01-21 US disclosed
US-20130289118-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2013-10-31 US disclosed
US-20110028562-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2011-02-03 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 (2 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-20130289118-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE SCN1A, SCN3A, ACHE NPSR1 611/4885MAPT 1048/4885L3MBTL1 3706/4885
US-20110028562-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE ACHE, CNR2, SCN1A NPSR1 687/4885MAPT 1073/4885L3MBTL1 3636/4885

“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.