SCHEMBL836802

SCHEMBL836802

Clc1ccc(-n2ncc3cc(I)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NR3C1 P04150 15/20 0.46
CYP11B2 P19099 2/20 0.46
CYP11B1 P15538 1/20 0.46
SMO Q99835 1/20 0.46
PGR P06401 3/20 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
SCHEMBL443024 0.84 NR3C1 (0.62) NR3C1CYP11B2SMOPGR
SCHEMBL836103 0.82 CYP11B2 (0.47) NR3C1CYP11B2CYP11B1SMOPGR
SCHEMBL19057571 0.81 NR3C1 (0.46) NPC1LMNARAB9ASMN1; SMN2NR3C1
SCHEMBL28782071 0.80 NR3C1 (0.42) NR3C1SMOPGR
SCHEMBL27765911 0.80 CYP11B1 (0.52) NPC1LMNARAB9ASMN1; SMN2NR3C1
SCHEMBL835119 0.80 NR3C1 (0.44) NR3C1SMOPGR
SCHEMBL836441 0.79 PLA2G10 (0.53) NPC1RAB9ASMN1; SMN2NR3C1CYP11B2
SCHEMBL29496843 0.76 NPC1 (0.61) NPC1LMNARAB9ASMN1; SMN2NR3C1
SCHEMBL413216 0.75 CYP11B2 (0.69) NR3C1CYP11B2CYP11B1SMOPGR
SCHEMBL17630086 0.75 NR3C1 (0.39) NPC1RAB9ASMN1; SMN2NR3C1CYP11B2

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 25 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
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-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 NPC1 30/4885LMNA 1618/4885RAB9A 1785/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 NPC1 30/4885LMNA 1618/4885RAB9A 1785/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 NPC1 30/4885LMNA 1618/4885RAB9A 1785/4885

“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.