SCHEMBL3534093

SCHEMBL3534093

O=S(=O)(Nc1ccc(Cl)nc1I)c1cccc2cccnc12

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.62
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
SLC40A1 Q9NP59 6/20 0.58
GAA P10253 2/20 0.58
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.55
MMP2 P08253 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
NFKBIA P25963 1/20 0.52
RELA Q04206 1/20 0.52

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
SCHEMBL29255668 0.85 SLC40A1 (0.68) ATMMEN1KMT2ASLC40A1GAA
SCHEMBL30854820 0.85 SLC40A1 (0.68) ATMMEN1KMT2ASLC40A1GAA
SCHEMBL3531084 0.81 HCRTR1 (0.47) MEN1KMT2ASLC40A1GAAALDH1A1
SCHEMBL1507919 0.80 SLC40A1 (0.76) ATMMEN1KMT2ASLC40A1GAA
SCHEMBL30854809 0.80 SLC40A1 (0.76) ATMMEN1KMT2ASLC40A1GAA
SCHEMBL3533823 0.79 SLC40A1 (0.55) SLC40A1
SCHEMBL29540765 0.79 GAA (0.71) ATMMEN1KMT2ASLC40A1GAA
SCHEMBL22234047 0.79 GAA (0.71) ATMMEN1KMT2ASLC40A1GAA
SCHEMBL30854823 0.77 SLC40A1 (0.70) ATMMEN1KMT2ASLC40A1GAA
SCHEMBL29255663 0.77 SLC40A1 (0.70) ATMMEN1KMT2ASLC40A1GAA

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
US-7728002-B2 Use of pyrrolopyridine compounds for activating PPAR receptors and treatment of conditions involving such receptors LABORATOIRES FOURNIER S.A. (FR) 2010-06-01 US disclosed
US-20090239856-A1 Use of Pyrrolopyridine Compounds for Activating PPAR Receptors and Treatment of Conditions Involving Such Receptors LABORATOIRES FOURNIER S.A. (FR) 2009-09-24 US disclosed
EP-1919474-B1 PYRROLOPYRIDINE DERIVATIVES AND USE OF SAME AS PPAR RECEPTOR MODULATORS FOURNIER LAB SA (FR) 2009-08-05 EP disclosed
US-7557122-B2 Pyrrolopyridine compounds, method of making them and uses thereof LABORATOIRES FOURNIER S.A. (FR) 2009-07-07 US disclosed
US-20080200495-A1 Pyrrolopyridine Compounds, Method of Making Them and Uses Thereof LABORATOIRES FOURNIER S.A. (FR) 2008-08-21 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-20090239856-A1 Use of Pyrrolopyridine Compounds for Activating PPAR Receptors and Treatment of Conditions Involving Such Receptors PPARD, PPARA, PPARG ATM 1546/4885MEN1 4459/4885KMT2A 2834/4885
US-20080200495-A1 Pyrrolopyridine Compounds, Method of Making Them and Uses Thereof LIPG, PCSK9, PNLIP ATM 1675/4885MEN1 4228/4885KMT2A 3514/4885

“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.