SCHEMBL5203137

SCHEMBL5203137

NC1CCN(c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
ALDH1A1 P00352 5/20 0.53
RECQL P46063 1/20 0.53
LMNA P02545 2/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
USP2 O75604 1/20 0.52
HTR6 P50406 1/20 0.50
GFER P55789 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 2/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL5207779 0.84 MAPT (0.53) MAPTALDH1A1RECQLLMNAKMT2A
SCHEMBL16669437 0.80 L3MBTL3 (0.44) KMT2AMEN1USP2L3MBTL1
SCHEMBL28933199 0.79 CA1 (0.44) MAPTALDH1A1RECQLLMNAKMT2A
Hydrochloric Acid SCHEMBL28627355 0.78 L3MBTL1 (0.42) MAPTALDH1A1RECQLKMT2AMEN1
SCHEMBL2626621 0.77 SMN1; SMN2 (0.44) MAPTALDH1A1RECQLLMNAKMT2A
SCHEMBL28704613 0.77 JAK2 (0.49) MAPTALDH1A1RECQLLMNAUSP2
SCHEMBL9535518 0.76 NPSR1 (0.65) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL16966466 0.74 ALDH1A1 (0.62) ALDH1A1LMNAPOLBCA1CA2
SCHEMBL7115867 0.73 CYP3A4 (0.47) MAPTALDH1A1RECQLLMNAKMT2A
SCHEMBL1576788 0.73 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AMEN1CA1

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
EP-1242083-B1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI AVENTIS (FR) 2007-03-14 EP disclosed
US-6867220-B2 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2005-03-15 US disclosed
US-20030040530-A1 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containning them SANOFI-AVENTIS (FR) 2003-02-27 US disclosed
EP-1242083-A1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Sanofi-Aventis (FR) 2002-09-25 EP disclosed
WO-2001043744-A1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-06-21 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-20030040530-A1 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containning them CNR1, CORO1C, CBR1 MAPT 2110/4885ALDH1A1 1619/4885RECQL 3671/4885

“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.