SCHEMBL1195969

SCHEMBL1195969

CCC(CO)NC(=O)COc1cc(C)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 2/20 0.51
ATM Q13315 1/20 0.51
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44

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
SCHEMBL1195970 1.00 NPC1 (0.51) NPC1ALDH1A1ATMRAB9ASMN1; SMN2
SCHEMBL1195538 0.85 LMNA (0.54) NPC1ALDH1A1ATMRAB9ASMN1; SMN2
SCHEMBL1195540 0.85 LMNA (0.54) NPC1ALDH1A1ATMRAB9ASMN1; SMN2
SCHEMBL1195820 0.80 ALDH1A1 (0.62) NPC1ALDH1A1RAB9ALMNAMAPT
SCHEMBL1195431 0.80 ALDH1A1 (0.62) NPC1ALDH1A1RAB9ALMNAMAPT
SCHEMBL1194561 0.80 MEN1 (0.57) NPC1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL1194560 0.80 MEN1 (0.57) NPC1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL3400095 0.80 ALDH1A1 (0.62) NPC1ALDH1A1RAB9ALMNAMAPT
SCHEMBL1195203 0.77 ALDH1A1 (0.49) NPC1ALDH1A1ATMRAB9ASMN1; SMN2
SCHEMBL15040607 0.75 ALDH1A1 (0.52) NPC1ALDH1A1ATMRAB9ASMN1; 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 7 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
EP-2247571-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE Uniwersytet Jagiellonski (PL) 2010-11-10 EP claimed
WO-2009093916-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2009-07-30 WO 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 NPC1 1446/4885ALDH1A1 461/4885ATM 1728/4885
US-20110028562-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE ACHE, CNR2, SCN1A NPC1 1278/4885ALDH1A1 541/4885ATM 1648/4885

“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.