SCHEMBL836490

SCHEMBL836490

COc1cc([C@@H](O)[C@@H](C)N)ccc1SC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 4/20 0.47
TDP1 Q9NUW8 4/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
BLM P54132 2/20 0.47
KMT2A Q03164 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
MTOR P42345 1/20 0.47
ACHE P22303 1/20 0.47
ADRA1A P35348 2/20 0.45
CYP2D6 P10635 1/20 0.45
ADRA2A P08913 1/20 0.45

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
SCHEMBL835288 1.00 RECQL (0.47) RECQLTDP1KDM4EMAPTLMNA
SCHEMBL851088 1.00 RECQL (0.47) RECQLTDP1KDM4EMAPTLMNA
SCHEMBL24758117 0.83 ACHE (0.37) BLMNFKB1ACHE
SCHEMBL3659342 0.82 ACHE (0.66) RECQLTDP1KDM4EMAPTLMNA
SCHEMBL10774314 0.82 ACHE (0.66) RECQLTDP1KDM4EMAPTLMNA
SCHEMBL25630213 0.80 HDAC4 (0.44) TDP1KMT2AALOX15HIF1APOLB
SCHEMBL3111714 0.78 RECQL (0.50) RECQLTDP1KDM4EMAPTLMNA
SCHEMBL3014159 0.77 ACHE (0.44) BLMTSHRPOLBACHEPPARG
SCHEMBL3014162 0.77 ACHE (0.44) BLMTSHRPOLBACHEPPARG
SCHEMBL3014167 0.77 ACHE (0.44) BLMTSHRPOLBACHEPPARG

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 7 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
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US 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 RECQL 1399/4885TDP1 4559/4885KDM4E 2848/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 RECQL 1399/4885TDP1 4559/4885KDM4E 2848/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 RECQL 1399/4885TDP1 4559/4885KDM4E 2848/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 RECQL 1399/4885TDP1 4559/4885KDM4E 2848/4885

“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.