SCHEMBL411297

SCHEMBL411297

CC(C)n1ncc2cc(I)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
ACLY P53396 1/20 0.41
EZH2 Q15910 1/20 0.39
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
CACNA1H O95180 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
NR3C1 P04150 1/20 0.35
SLC5A2 P31639 1/20 0.35
NOS1 P29475 1/20 0.34
HDAC8 Q9BY41 2/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
MET P08581 1/20 0.34
P2RX3 P56373 1/20 0.34
USP36 Q9P275 1/20 0.34
CDK8 P49336 1/20 0.33

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
SCHEMBL6741169 0.86 KMO (0.41) ABCB1ABCG2ACLYEZH2BRD4
SCHEMBL14236203 0.81 HDAC8 (0.47) ABCB1ABCG2ACLYEZH2BRD4
SCHEMBL14015636 0.79 NR3C1 (0.42) ABCB1ABCG2ACLYEZH2BRD4
SCHEMBL21733169 0.79 ACLY (0.52) ABCB1ABCG2ACLYEZH2CACNA1H
SCHEMBL13428 0.79 HDAC8 (0.48) ABCB1ABCG2ACLYEZH2BRD4
SCHEMBL24826400 0.79 HTR2A (0.56) ABCB1ABCG2ACLYEZH2CACNA1H
SCHEMBL363230 0.79 ACLY (0.46) ABCB1ABCG2ACLYEZH2BRD4
SCHEMBL20353830 0.79 ABCB1 (0.41) ABCB1ABCG2ACLYEZH2BRD4
SCHEMBL30551304 0.79 HDAC8 (0.48) ABCB1ABCG2ACLYEZH2BRD4
SCHEMBL3699781 0.79 CHEK1 (0.53) ABCB1ABCG2ACLYEZH2BRD4

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 38 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
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-2097384-B1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
EP-2097384-B1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
CN-101646654-B Indazolyl sulfonamide derivatives useful as glucocorticoid modulators ASTRAZENECA AB 2012-03-28 CN 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
EP-2097384-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS AstraZeneca AB (SE) 2009-09-09 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
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 US disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 US disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 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-2008063116-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2008-05-29 WO disclosed
WO-2008063116-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2008-05-29 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 (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 ABCB1 2/4885ABCG2 1/4885ACLY 692/4885
US-20080207721-A1 Chemical compounds NR3C1, NR3C2, MC2R ABCB1 227/4885ABCG2 154/4885ACLY 2519/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 ABCB1 2/4885ABCG2 1/4885ACLY 692/4885

“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.