SCHEMBL1194560

SCHEMBL1194560

CCC(CO)NC(=O)COc1ccc(Cl)cc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 7/20 0.55
LMNA P02545 4/20 0.55
HTT P42858 2/20 0.55
HPGD P15428 2/20 0.55
ANO1 Q5XXA6 3/20 0.54
ANO2 Q9NQ90 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 1/20 0.51
TSHR P16473 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL1194561 1.00 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2LMNA
SCHEMBL1195970 0.80 NPC1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2LMNA
SCHEMBL1195969 0.80 NPC1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2LMNA
SCHEMBL28001057 0.78 NPSR1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2LMNA
SCHEMBL3400095 0.78 ALDH1A1 (0.62) MEN1KMT2ALMNAMAPTL3MBTL1
SCHEMBL1195369 0.78 NPSR1 (0.62) MEN1KMT2ANPSR1SMN1; SMN2LMNA
SCHEMBL1195431 0.78 ALDH1A1 (0.62) MEN1KMT2ALMNAMAPTL3MBTL1
SCHEMBL1195820 0.78 ALDH1A1 (0.62) MEN1KMT2ALMNAMAPTL3MBTL1
SCHEMBL1195316 0.78 NPSR1 (0.62) MEN1KMT2ANPSR1SMN1; SMN2LMNA
SCHEMBL2557363 0.78 KDM4E (0.72) MEN1KMT2ASMN1; SMN2LMNAHTT

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 MEN1 4463/4885KMT2A 1734/4885NPSR1 611/4885
US-20110028562-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE ACHE, CNR2, SCN1A MEN1 4635/4885KMT2A 1305/4885NPSR1 687/4885

“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.