SCHEMBL1200568

SCHEMBL1200568

O=C(CC(=O)c1cccs1)NCc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.78
L3MBTL1 Q9Y468 2/20 0.78
RAB9A P51151 3/20 0.61
POLB P06746 2/20 0.60
ERCC5 P28715 1/20 0.57
FEN1 P39748 1/20 0.57
LMNA P02545 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TSHR P16473 1/20 0.54
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 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
SCHEMBL2925459 0.82 NPC1 (0.71) HPGDL3MBTL1RAB9ALMNAMEN1
SCHEMBL5161077 0.79 LMNA (0.63) HPGDL3MBTL1RAB9APOLBERCC5
SCHEMBL13685740 0.78 HPGD (0.60) HPGDL3MBTL1RAB9ALMNAMEN1
SCHEMBL6301755 0.78 MEN1 (0.67) HPGDL3MBTL1RAB9APOLBERCC5
SCHEMBL711360 0.77 RAB9A (0.75) HPGDL3MBTL1RAB9APOLBERCC5
SCHEMBL3087061 0.77 GAA (0.73) HPGDL3MBTL1RAB9ALMNAMEN1
SCHEMBL19399121 0.77 HPGD (0.68) HPGDL3MBTL1RAB9APOLBERCC5
SCHEMBL3917581 0.77 GAA (0.68) L3MBTL1RAB9APOLBLMNAMEN1
SCHEMBL1199497 0.76 ALDH1A1 (0.74) HPGDRAB9ALMNAMEN1KMT2A
SCHEMBL1515726 0.76 NPC1 (0.62) HPGDL3MBTL1RAB9APOLBERCC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102321066-B Method for producing aryl-aminopropanols SALTIGO GMBH 2014-07-23 CN disclosed
CN-1445224-B Process for preparing arylaminopropanols SALTIGO GMBH 2012-07-11 CN disclosed
CN-102321066-A The method for preparing the arylamino propyl alcohol SALTIGO GMBH 2012-01-18 CN disclosed
US-7893281-B2 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2011-02-22 US disclosed
US-20090286997-A1 PROCESS FOR PREPARING ARYLAMINOPROPANOLS LANXESS DEUTSCHLAND GMBH (DE) 2009-11-19 US disclosed
US-7582776-B2 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2009-09-01 US disclosed
EP-1346977-B1 Method for producing aryl-aminopropanols SALTIGO GMBH (DE) 2009-07-22 EP disclosed
US-20080262247-A1 Process for preparing arylaminopropanols ECKERT MARKUS 2008-10-23 US disclosed
US-7169938-B2 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2007-01-30 US disclosed
US-20030225153-A1 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US disclosed
CN-1445224-A Process for preparing arylaminopropanols BAYER AG (DE) 2003-10-01 CN disclosed
EP-1346977-A1 Method for producing aryl-aminopropanols Bayer Aktiengesellschaft (DE) 2003-09-24 EP 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-20030225153-A1 Process for preparing arylaminopropanols AHR, CYP1A1, CYP1A2 HPGD 1504/4885L3MBTL1 4597/4885RAB9A 3297/4885
US-20090286997-A1 PROCESS FOR PREPARING ARYLAMINOPROPANOLS AHR, CYP1A1, CYP1A2 HPGD 1504/4885L3MBTL1 4597/4885RAB9A 3297/4885
US-20080262247-A1 Process for preparing arylaminopropanols CYP1A1, CYP1A2, AHR HPGD 1119/4885L3MBTL1 4570/4885RAB9A 3050/4885

“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.