SCHEMBL2729231

SCHEMBL2729231

C=CCc1cc(F)c2c(c1)COC2=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 4/20 0.36
KCNH2 Q12809 3/20 0.36
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32
ALDH1A1 P00352 2/20 0.32
IMPDH2 P12268 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
ALOX5 P09917 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL15191613 0.88 KCNJ1 (0.37) KCNJ1KCNH2MAPTSMN1; SMN2GAA
SCHEMBL286747 0.79 CYP3A4 (0.51) CYP3A4MAPTSMN1; SMN2GAAKDM4E
SCHEMBL286734 0.76 KDM4E (0.36) KCNJ1KCNH2CYP3A4CYP1A2MAPT
SCHEMBL286708 0.72 KCNJ1 (0.56) KCNJ1KCNH2CYP3A4CYP1A2MAPT
SCHEMBL28895139 0.70 GAA (0.49) KCNJ1KCNH2CYP3A4MAPTSMN1; SMN2
SCHEMBL29580988 0.70 GAA (0.49) KCNJ1KCNH2CYP3A4MAPTSMN1; SMN2
SCHEMBL30496989 0.70 KDM4E (0.39) KCNJ1KCNH2CYP3A4MAPTSMN1; SMN2
SCHEMBL286550 0.70 KDM4E (0.39) KCNJ1KCNH2CYP3A4MAPTSMN1; SMN2
SCHEMBL2729075 0.70 CYP3A4 (0.41) KCNJ1KCNH2CYP3A4MAPTGAA
SCHEMBL2730019 0.69 KDM4E (0.39) KCNJ1KCNH2CYP3A4SMN1; SMN2GAA

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 KCNJ1 2/4885KCNH2 14/4885CYP3A4 4421/4885

“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.