SCHEMBL2730679

SCHEMBL2730679

COC(=O)C1OCCc2c1ccc(Br)c2OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 2/20 0.33
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2C19 P33261 2/20 0.30
MEN1 O00255 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2C P18825 1/20 0.30
DRD4 P21917 1/20 0.30
ADRA1A P35348 1/20 0.30
DRD3 P35462 1/20 0.30
HTR2B P41595 1/20 0.30
KMT2A Q03164 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL296709 0.88 CYP1A2 (0.39) TSHRRAB9ATP53CYP1A2KMT2A
SCHEMBL2733801 0.86 TSHR (0.36) TSHRRAB9ACYP1A2HPGDMEN1
SCHEMBL22491754 0.84 RAB9A (0.40) TSHRRAB9ACYP1A2THRBCYP2D6
SCHEMBL296739 0.84 RAB9A (0.40) TSHRRAB9ACYP1A2THRBCYP2D6
SCHEMBL298263 0.83 MEN1 (0.33) TP53CYP1A2MEN1KMT2A
SCHEMBL24543429 0.77 ALDH1A1 (0.39) TSHRRAB9AHPGDKMT2ASLC6A3
SCHEMBL15321005 0.77 RAB9A (0.41) TSHRRAB9ACYP1A2THRBCYP2D6
SCHEMBL298452 0.76 KDM4E (0.31) ADRA2AADRA1A
SCHEMBL31730735 0.73 RAB9A (0.48) TSHRRAB9AMAPTTHRBHPGD
SCHEMBL286695 0.71 TSHR (0.43) TSHRMAPTCYP1A2CYP2C19HTR2B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427444-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-16 EP disclosed
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed
US-9018211-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-05-22 US disclosed
US-8673920-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
EP-2632464-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2010-11-11 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 (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-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 TSHR 1103/4885RAB9A 1662/4885TP53 4844/4885
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 TSHR 1257/4885RAB9A 1758/4885TP53 4827/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 TSHR 1257/4885RAB9A 1758/4885TP53 4827/4885

“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.