SCHEMBL836030

SCHEMBL836030

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
SMO Q99835 11/20 0.46
NPBWR1 P48145 1/20 0.44
MAOB P27338 1/20 0.43
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
FGFR1 P11362 1/20 0.42
KDM4A O75164 1/20 0.41
NR3C1 P04150 2/20 0.41

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
SCHEMBL836441 0.84 PLA2G10 (0.53) CYP11B1CYP11B2SMOHPGDNR3C1
SCHEMBL348090 0.83 CYP11B1 (0.57) CYP11B1CYP11B2SMONPBWR1MAOB
SCHEMBL1363389 0.82 CYP11B1 (0.69) CYP11B1CYP11B2SMONR3C1
SCHEMBL3666316 0.81 CYP11B1 (0.54) CYP11B1CYP11B2NPBWR1HTTALDH1A1
SCHEMBL23535745 0.81 CYP11B1 (0.60) CYP11B1CYP11B2SMOMAOBHTT
SCHEMBL27765911 0.80 CYP11B1 (0.52) CYP11B1CYP11B2SMONPBWR1HTT
SCHEMBL17942269 0.78 CYP11B1 (0.55) CYP11B1CYP11B2SMOALDH1A1NR3C1
SCHEMBL836029 0.76 NR3C1 (0.40) CYP11B1CYP11B2SMOHPGDFGFR1
SCHEMBL347030 0.75 TDP1 (0.49) CYP11B1CYP11B2SMONPBWR1ALDH1A1
SCHEMBL443024 0.75 NR3C1 (0.62) CYP11B2SMONR3C1

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 9 patents. 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
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-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US 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
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 (4 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 CYP11B1 10/4885CYP11B2 3/4885SMO 2829/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 CYP11B1 10/4885CYP11B2 3/4885SMO 2829/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 CYP11B1 10/4885CYP11B2 3/4885SMO 2829/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 CYP11B1 10/4885CYP11B2 3/4885SMO 2829/4885

“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.