SCHEMBL2253545

SCHEMBL2253545

OC(Br)c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
ESR2 Q92731 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
CNR2 P34972 1/20 0.40
ACHE P22303 1/20 0.39
AOC3 Q16853 1/20 0.39
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL6202122 0.82 CES2 (0.56) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL6202123 0.81 CES2 (0.55) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL723341 0.81 HDAC4 (0.47) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL11603896 0.81 CES2 (0.55) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL227352 0.81 CES2 (0.55) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL4433928 0.81 HDAC4 (0.47) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL3808194 0.79 HDAC4 (0.46) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL5081061 0.79 CES2 (0.53) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL6204304 0.79 HDAC4 (0.50) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL7783860 0.78 CES2 (0.49) CES2CES1HDAC4HDAC7HDAC5

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109810572-A Inorganic nano material prints ink and its preparation method and application 深圳TCL工业研究院有限公司 2019-05-28 CN claimed
CN-105143170-B For treating the aromatic compounds of pulmonary fibrosis, liver fibrosis, fibrosis of skin and cardiac fibrosis being substituted 普罗米蒂克医药SMT有限公司 2019-11-08 CN disclosed
CN-109810567-A Inorganic nano material prints ink and its preparation method and application TCL集团股份有限公司 2019-05-28 CN disclosed
CN-109810571-A Inorganic nano material prints ink and its preparation method and application TCL集团股份有限公司 2019-05-28 CN disclosed
CN-109810572-A Inorganic nano material prints ink and its preparation method and application 深圳TCL工业研究院有限公司 2019-05-28 CN disclosed
CN-109810573-A Inorganic nano material prints ink and its preparation method and application TCL集团股份有限公司 2019-05-28 CN disclosed
CN-109810570-A Inorganic nano material prints ink and its preparation method and application TCL集团股份有限公司 2019-05-28 CN disclosed
CN-109810574-A Inorganic nano material prints ink and its preparation method and application 深圳TCL工业研究院有限公司 2019-05-28 CN disclosed
CN-109810568-A Inorganic nano material prints ink and its preparation method and application TCL集团股份有限公司 2019-05-28 CN disclosed
CN-102532180-B The little molecule of boracic 安纳考尔医药公司 2016-06-29 CN disclosed
EP-2537845-B1 6H-DIBENZO[B,E]OXEPINE DERIVED NONSTEROIDAL MINERALOCORTICOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2014-03-19 EP disclosed
CN-103479654-A Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS INC 2014-01-01 CN disclosed
EP-2537845-A1 6H-dibenzo[B,E]oxepine derived nonsteroidal mineralocorticoid receptor antagonists Eli Lilly and Company (US) 2012-12-26 EP disclosed
EP-2235007-B1 6H-DIBENZ0 [B, E] OXEPINE DERIVED NONSTEROIDAL MINERALOCORTICOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-10-31 EP disclosed
US-7994164-B2 Mineralocorticoid receptor antagonists and methods of use ELI LILLY AND COMPANY (US) 2011-08-09 US disclosed
EP-2235007-A1 6H-DIBENZ0 [B, E] OXEPINE DERIVED NONSTEROIDAL MINERALOCORTICOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-10-06 EP disclosed
WO-2009085584-A1 6H-DIBENZ0 [B, E] OXEPINE DERIVED NONSTEROIDAL MINERALOCORTICOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-07-09 WO disclosed
US-20090163472-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS AND METHODS OF USE ELI LILLY AND COMPANY 2009-06-25 US disclosed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 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-20090163472-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS AND METHODS OF USE NR3C2, MC2R, REN CES2 4373/4885CES1 2101/4885HDAC4 2256/4885

“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.