SCHEMBL834628

SCHEMBL834628

COc1cc(Br)ccc1SC(=O)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
NCEH1 Q6PIU2 3/20 0.42
RECQL P46063 1/20 0.38
PYCR1 P32322 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
LPAR1 Q92633 1/20 0.36

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
SCHEMBL11074664 0.81 ALDH1A1 (0.49) ALDH1A1LMNAMAPTGFERSMN1; SMN2
SCHEMBL5476880 0.80 ALDH1A1 (0.49) ALDH1A1LMNAMAPTSMN1; SMN2HSD17B10
SCHEMBL2467212 0.79 NR4A2 (0.43) NCEH1ALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL5466096 0.79 ALDH1A1 (0.51) POLBALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4071298 0.79 NCEH1 (0.41) POLBNCEH1RECQLALDH1A1LMNA
SCHEMBL31260333 0.78 HTR7 (0.44) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL6021805 0.77 MTNR1A (0.45) POLBLMNAMAPTSMN1; SMN2HSD17B10
SCHEMBL11077314 0.77 HTT (0.51) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL2473574 0.76 KDM4E (0.46) POLBNCEH1ALDH1A1LMNAMAPT
SCHEMBL2468670 0.76 NR4A2 (0.43) POLBNCEH1ALDH1A1MAPTSMN1; SMN2

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 23 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-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
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

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 POLB 2775/4885NCEH1 1251/4885RECQL 1399/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 POLB 2775/4885NCEH1 1251/4885RECQL 1399/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 POLB 2775/4885NCEH1 1251/4885RECQL 1399/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 POLB 2775/4885NCEH1 1251/4885RECQL 1399/4885

“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.