SCHEMBL752273

SCHEMBL752273

OC(c1ccccc1)c1ccc(Br)s1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.46
TOP2B Q02880 1/20 0.46
HSD17B2 P37059 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
DAO P14920 1/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 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
SCHEMBL7245616 0.85 HPGD (0.46) HPGDSMN1; SMN2KMT2AKDM4EL3MBTL1
SCHEMBL510472 0.81 TOP2A (0.38) TOP2ATOP2BHSD17B2HPGDKMT2A
SCHEMBL2893148 0.81 TOP2A (0.38) TOP2ATOP2BDAOKMT2AALDH1A1
SCHEMBL753519 0.79 CES2 (0.44) TOP2ATOP2BSMN1; SMN2KMT2ALMNA
SCHEMBL19980405 0.72 HPGD (0.37) HPGDSMN1; SMN2KDM4EL3MBTL1LMNA
SCHEMBL10331392 0.71 KMT2A (0.38) HSD17B2HPGDDAOKMT2AALDH1A1
SCHEMBL10331390 0.71 KMT2A (0.38) HSD17B2HPGDDAOKMT2AALDH1A1
SCHEMBL5511034 0.71 TOP2A (0.48) TOP2ATOP2BSMN1; SMN2
SCHEMBL3923197 0.71 MLKL (0.38) HPGDSMN1; SMN2KMT2AKDM4ELMNA
SCHEMBL15965379 0.71 F2 (0.44) HPGDDAOL3MBTL1LMNAMAPK1

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-8222247-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
EP-2078015-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
US-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-01-07 US disclosed
EP-2078015-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-07-15 EP disclosed
WO-2008057859-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-I AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
EP-1086091-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2001-10-10 EP disclosed
US-6262055-B1 SULFUR-CONTAINING HETEROARYL DIOXO-BUTYRIC ACID DERIVATIVES MERCK & CO., INC. 2001-07-17 US disclosed
EP-1086091-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2001-03-28 EP disclosed
WO-1999062897-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 1999-12-09 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 (1 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-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF NR3C1, NFRKB, RELA TOP2A 1770/4885TOP2B 2143/4885HSD17B2 973/4885

“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.