SCHEMBL6423116

SCHEMBL6423116

NCCC(=O)c1cccs1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.80
LMNA P02545 3/20 0.80
KMT2A Q03164 3/20 0.80
MEN1 O00255 2/20 0.80
NPC1 O15118 2/20 0.80
RAB9A P51151 2/20 0.80
POLB P06746 1/20 0.80
HPGD P15428 5/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
PKM P14618 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
HTT P42858 1/20 0.62
HSD17B10 Q99714 1/20 0.62
GSK3B P49841 1/20 0.62
CTNNB1 P35222 5/20 0.62
WNT3A P56704 4/20 0.62
HDAC1 Q13547 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
ERCC5 P28715 1/20 0.56

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
SCHEMBL8521100 1.00 ALDH1A1 (0.80) ALDH1A1LMNAKMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL28220428 0.98 ALDH1A1 (0.77) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL18906079 0.90 KMT2A (0.71) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL2216212 0.89 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL22721189 0.85 ALDH1A1 (0.83) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL4765892 0.85
SCHEMBL5188799 0.84 ALDH1A1 (0.81) ALDH1A1LMNAKMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL892556 0.83 ALDH1A1 (0.67) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL3224084 0.83 ALDH1A1 (0.80) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL6197414 0.83 ALDH1A1 (0.80) ALDH1A1LMNAKMT2AMEN1NPC1

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
WO-2004031168-A2 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF OPTICALLY ACTIVE 3-AMINO-1-(2-THIENYL)-1-PROPANOL DERIVATIVES LONZA AG (CH) 2004-04-15 WO claimed
US-7410982-B2 Propanamine derivatives as serotonin and norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20050197503-A1 Process for the preparation of N-alkyl-N-methyl-3-hydroxy-3-(2-thienyl)-propylamines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-08 US disclosed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO disclosed
WO-2004031168-A3 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF OPTICALLY ACTIVE 3-AMINO-1-(2-THIENYL)-1-PROPANOL DERIVATIVES LONZA AG (CH) 2004-08-26 WO disclosed
WO-2004031168-A2 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF OPTICALLY ACTIVE 3-AMINO-1-(2-THIENYL)-1-PROPANOL DERIVATIVES LONZA AG (CH) 2004-04-15 WO disclosed
WO-2004031168-A2 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF OPTICALLY ACTIVE 3-AMINO-1-(2-THIENYL)-1-PROPANOL DERIVATIVES LONZA AG (CH) 2004-04-15 WO 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 (1 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-20050197503-A1 Process for the preparation of N-alkyl-N-methyl-3-hydroxy-3-(2-thienyl)-propylamines HNMT, PNMT, HRH4 ALDH1A1 4097/4885LMNA 3996/4885KMT2A 148/4885

“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.