SCHEMBL836441

SCHEMBL836441

O=C(O)c1ccc(-n2ncc3cc(I)ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.53
SMO Q99835 4/20 0.45
TPMT P51580 1/20 0.44
NR3C1 P04150 6/20 0.44
XDH P47989 2/20 0.44
NPC1 O15118 1/20 0.44
HSP90AA1 P07900 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MGLL Q99685 1/20 0.43
HPGD P15428 1/20 0.41
PGR P06401 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL1667310 0.88 PLA2G10 (0.55) PLA2G10SMONR3C1XDHNPC1
SCHEMBL836830 0.85 MAPK10 (0.48) PLA2G10SMOMGLLHPGDCYP11B1
SCHEMBL836030 0.84 CYP11B1 (0.56) SMONR3C1HPGDCYP11B1CYP11B2
SCHEMBL1664635 0.83 PLA2G10 (0.53) PLA2G10SMONR3C1XDHNPC1
SCHEMBL836029 0.83 NR3C1 (0.40) PLA2G10SMONR3C1HPGDPGR
SCHEMBL2610311 0.81 MGLL (0.57) PLA2G10SMONR3C1NPC1HSP90AA1
SCHEMBL1666786 0.80 XDH (0.47) PLA2G10SMONR3C1XDHNPC1
SCHEMBL1362909 0.80 NR3C1 (0.60) SMONR3C1MGLLPGRCYP11B1
SCHEMBL443024 0.79 NR3C1 (0.62) SMONR3C1PGRCYP11B2
SCHEMBL3668866 0.79 PLA2G10 (0.67) PLA2G10SMONR3C1XDHNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
CN-101611015-B Indazolyl ester and indazolyl amide derivatives for the treatment of glucocorticoid receptor mediated disorders ASTRAZENECA AB SE 2012-09-26 CN disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
CN-101611015-A Indazolyl ester and indazolyl amide derivatives for the treatment of glucocorticoid receptor mediated disorders ASTRAZENECA AB (SE) 2009-12-23 CN disclosed
EP-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 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 (3 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 PLA2G10 3532/4885SMO 2829/4885TPMT 402/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 PLA2G10 3532/4885SMO 2829/4885TPMT 402/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 PLA2G10 3532/4885SMO 2829/4885TPMT 402/4885

“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.