SCHEMBL925941

SCHEMBL925941

O=[N+]([O-])c1ccc(=S)[nH]c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.53
GFER P55789 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
MCL1 Q07820 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
DBH P09172 1/20 0.44
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GLA P06280 1/20 0.41
APP P05067 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PSMB8 P28062 1/20 0.40
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
NAMPT P43490 1/20 0.39
XDH P47989 1/20 0.39

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
SCHEMBL308403 0.76 ALDH1A1 (0.47) ALDH1A1MAPTPOLBGFERCACNA1B
SCHEMBL27752664 0.70 ALDH1A1 (0.65) ALDH1A1ACHEHSD17B10APPLMNA
SCHEMBL28818 0.70
SCHEMBL27909482 0.69 ALDH1A1 (0.72) ALDH1A1ACHEHSD17B10APPLMNA
SCHEMBL22567 0.69 ALDH1A1 (0.72) ALDH1A1ACHEHSD17B10APPLMNA
Nitric Acid SCHEMBL27633027 0.68 CES1 (0.64) ALDH1A1ACHEHSD17B10LMNACES1
SCHEMBL28198 0.68 CA1 (0.67) ALDH1A1MAPTPOLBACHEHSD17B10
SCHEMBL6423919 0.68 CA1 (0.67) ALDH1A1MAPTPOLBACHEHSD17B10
Water SCHEMBL28241270 0.67 ALDH1A1 (0.68) ALDH1A1ACHEHSD17B10APPLMNA
Water SCHEMBL27300423 0.67 ALDH1A1 (0.68) ALDH1A1ACHEHSD17B10APPLMNA

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2540320-A1 LEPTOMYCIN DERIVATIVES SANOFI (FR) 2013-01-02 EP disclosed
EP-2032172-B1 LEPTOMYCIN DERIVATIVES SANOFI SA (FR) 2012-06-06 EP disclosed
US-20110002947-A1 LEPTOMYCIN DERIVATIVES SANOFI-AVENTIS (FR) 2011-01-06 US disclosed
US-7816543-B2 Leptomycin derivatives SANOFI-AVENTIS (FR) 2010-10-19 US disclosed
US-20090182038-A1 Leptomycin Derivatives SANOFI-AVENTIS (FR) 2009-07-16 US disclosed
EP-2032172-A2 LEPTOMYCIN DERIVATIVES Sanofi-Aventis (FR) 2009-03-11 EP disclosed
US-7456309-B2 Reusable universal polymer support for repetitive oligonucleotide synthesis COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-11-25 US disclosed
WO-2007144709-A2 LEPTOMYCIN DERIVATIVES SANOFI-AVENTIS (FR) 2007-12-21 WO disclosed
EP-1864682-A1 Leptomycin derivatives Sanofi-Aventis (FR) 2007-12-12 EP disclosed
US-7235650-B2 Derivatized oligonucleotides having improved uptake and other properties ISIS PHARMACEUTICALS, INC. (US) 2007-06-26 US disclosed
EP-0804456-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1997-11-05 EP disclosed
US-5578718-A Thiol-derivatized nucleosides ISIS PHARMACEUTICALS, INC. (US) 1996-11-26 US disclosed
EP-0724447-A1 DERIVATIZED OLIGONUCLEOTIDES HAVING IMPROVED UPTAKE AND OTHER PROPERTIES ISIS PHARMACEUTICALS, INC. (US) 1996-08-07 EP disclosed
EP-0716604-A1 THIOL-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 1996-06-19 EP disclosed
WO-1996011205-A9 PEPTIDE NUCLEIC ACID CONJUGATES 1996-05-30 WO disclosed
WO-1996011205-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1996-04-18 WO disclosed
EP-0724447-A4 DERIVATIZED OLIGONUCLEOTIDES HAVING IMPROVED UPTAKE AND OTHER PROPERTIES ISIS PHARMACEUTICALS INC (US) 1996-01-22 EP disclosed
WO-1995030670-A2 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 WO disclosed
WO-1995006474-A1 THIOL-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 1995-03-09 WO disclosed
WO-1993007883-A1 DERIVATIZED OLIGONUCLEOTIDES HAVING IMPROVED UPTAKE AND OTHER PROPERTIES ISIS PHARMACEUTICALS, INC. (US) 1993-04-29 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-20090182038-A1 Leptomycin Derivatives CLSPN, CD47, HCLS1 ALDH1A1 3948/4885MAPT 2682/4885POLB 4421/4885
US-20110002947-A1 LEPTOMYCIN DERIVATIVES CLSPN, CD47, HCLS1 ALDH1A1 3948/4885MAPT 2682/4885POLB 4421/4885

“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.