SCHEMBL1063117

SCHEMBL1063117

O=C(O)N1CCN(c2cc(NS(=O)(=O)c3ccccc3Cl)cc3ccoc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKLR P30613 2/20 0.45
ALDH1A1 P00352 5/20 0.45
BRD4 O60885 1/20 0.41
ACLY P53396 2/20 0.41
LMNA P02545 3/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN5 P54829 1/20 0.40
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PGR P06401 1/20 0.38
MALT1 Q9UDY8 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37

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
SCHEMBL5988163 0.89 LMNA (0.39) PKLRALDH1A1BRD4LMNA
SCHEMBL3626769 0.85 HTR6 (0.48) ALDH1A1BRD4MEN1KMT2A
SCHEMBL5997812 0.84 HTR6 (0.40) PKLRALDH1A1BRD4LMNA
Hydrochloric Acid SCHEMBL1065295 0.82 ALDH1A1 (0.46) PKLRALDH1A1BRD4LMNAMEN1
SCHEMBL1062669 0.80 HTR6 (0.56) ALDH1A1ACLYLMNANPSR1MEN1
SCHEMBL3619404 0.78 HTR6 (0.49) ALDH1A1LMNAMEN1KMT2A
SCHEMBL3622742 0.75 HTR6 (0.59) ALDH1A1BRD4LMNAPKMMEN1
SCHEMBL1062855 0.75 LMNA (0.51) ALDH1A1BRD4LMNAPKMMEN1
Hydrochloric Acid SCHEMBL1064619 0.75 BRD4 (0.41) PKLRALDH1A1BRD4ACLYPTPN2
Hydrochloric Acid SCHEMBL1377875 0.74 HTR6 (0.58) ALDH1A1BRD4LMNAPKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015185-A1 Benzofuran Compounds BIOVITRUM AB (SE) 2011-01-20 US disclosed
US-7820675-B2 Benzofuran compounds BIOVITRUM AB (SE) 2010-10-26 US disclosed
US-20060287291-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2006-12-21 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-20060287291-A1 Compounds HTR6, HTR1B, HTR1A PKLR 1852/4885ALDH1A1 545/4885BRD4 2681/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A PKLR 1186/4885ALDH1A1 353/4885BRD4 519/4885

“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.