SCHEMBL2733801

SCHEMBL2733801

CONC(=O)C1OCCc2c1ccc(Br)c2OC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 2/20 0.31
HPGD P15428 2/20 0.31
CYP1A2 P05177 1/20 0.31
APOBEC3A P31941 1/20 0.30
HTT P42858 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
MAPK1 P28482 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 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
SCHEMBL2730679 0.86 TSHR (0.34) TSHRRAB9AALDH1A1KMT2AHPGD
SCHEMBL296709 0.85 CYP1A2 (0.39) TSHRRAB9AKMT2ACYP1A2
SCHEMBL298263 0.80 MEN1 (0.33) KMT2ACYP1A2MEN1
SCHEMBL298452 0.73 KDM4E (0.31)
SCHEMBL296739 0.70 RAB9A (0.40) TSHRRAB9AALDH1A1KMT2ACYP1A2
SCHEMBL22491754 0.70 RAB9A (0.40) TSHRRAB9AALDH1A1KMT2ACYP1A2
SCHEMBL21048281 0.66 TSHR (0.43) TSHRKMT2AHPGDCYP1A2MAPK1
Water SCHEMBL22491700 0.65 TSHR (0.43) TSHRKMT2AHPGDCYP1A2MAPK1
Water SCHEMBL30437086 0.65 TSHR (0.43) TSHRKMT2AHPGDCYP1A2MAPK1
SCHEMBL297221 0.64 RAB9A (0.34) TSHRRAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 TSHR 1103/4885RAB9A 1662/4885ALDH1A1 1549/4885

“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.