SCHEMBL4425957

SCHEMBL4425957

c1ccc(CCCCN2CCOCC2)cc1

nearest known ligand 0.90

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.90
POLB P06746 1/20 0.90
CCR3 P51677 2/20 0.67
KMT2A Q03164 2/20 0.64
HTT P42858 1/20 0.64
MEN1 O00255 1/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
TSHR P16473 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL1711070 0.95 SIGMAR1 (1.00) SIGMAR1POLBCCR3KMT2AHTT
SCHEMBL9149934 0.88 SIGMAR1 (0.70) SIGMAR1POLBCCR3KMT2AHTT
SCHEMBL78043 0.87 SIGMAR1 (0.79) SIGMAR1POLBCCR3KMT2AHTT
SCHEMBL9539677 0.87 SIGMAR1 (0.79) SIGMAR1POLBCCR3KMT2AHTT
SCHEMBL8092982 0.85 SIGMAR1 (0.85) SIGMAR1CCR3KMT2AMEN1TP53
SCHEMBL20797123 0.85 SIGMAR1 (0.81) SIGMAR1POLBKMT2AHTT
Sulfurous Acid SCHEMBL28001231 0.84 SIGMAR1 (0.79) SIGMAR1POLBKMT2AHTTMEN1
SCHEMBL7394691 0.84 SIGMAR1 (0.68) SIGMAR1POLBCCR3KMT2AMEN1
SCHEMBL7397638 0.84 SIGMAR1 (0.68) SIGMAR1POLBCCR3KMT2AMEN1
SCHEMBL11195592 0.84 SIGMAR1 (0.68) SIGMAR1POLBCCR3KMT2AHTT

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
EP-1682538-A4 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S BIO PTE LTD (SG) 2009-05-27 EP claimed
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 US claimed
EP-1682538-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*Bio Pte Ltd (SG) 2006-07-26 EP claimed
WO-2005040161-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-05-06 WO claimed
US-20150301461-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS AND PHTHALOCYANINE CRYSTAL CANON KABUSHIKI KAISHA (JP) 2015-10-22 US disclosed
US-20150301461-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS AND PHTHALOCYANINE CRYSTAL CANON KABUSHIKI KAISHA (JP) 2015-10-22 US disclosed
WO-2014092194-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS AND PHTHALOCYANINE CRYSTAL CANON KABUSHIKI KAISHA (JP) 2014-06-19 WO disclosed
EP-1682538-A4 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S BIO PTE LTD (SG) 2009-05-27 EP disclosed
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 US disclosed
EP-1682538-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*Bio Pte Ltd (SG) 2006-07-26 EP disclosed
US-20050159470-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-07-21 US disclosed
WO-2005040161-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-05-06 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 (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-20050159470-A1 Histone deacetylase inhibitors HDAC5, HDAC1, HDAC10 SIGMAR1 3591/4885POLB 2188/4885CCR3 3491/4885
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications HDAC1, HDAC11, HDAC2 SIGMAR1 4425/4885POLB 525/4885CCR3 1991/4885

“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.