SCHEMBL14720176

SCHEMBL14720176

COc1cc(F)c(C(=O)CBr)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.41
STING1 Q86WV6 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTR2A P28223 1/20 0.38
IMPDH2 P12268 1/20 0.37
AR P10275 4/20 0.37
HPGD P15428 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LRRK2 Q5S007 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL2380120 0.82 HPGDS (0.47) HPGDSSTING1ALDH1A1SMN1; SMN2
SCHEMBL14720123 0.82 GSK3B (0.40) ALDH1A1S1PR3KDM4E
SCHEMBL16836207 0.77 GSK3B (0.50) ALDH1A1IMPDH2ARS1PR1S1PR3
SCHEMBL2773446 0.76 LCK (0.45) STING1ALDH1A1IMPDH2HPGDLRRK2
SCHEMBL5470003 0.76 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2KDM4EGAA
SCHEMBL2806797 0.75 GAA (0.48) STING1ALDH1A1HTR2AIMPDH2AR
SCHEMBL286978 0.74 KDM4E (0.50) ALDH1A1HTR2AIMPDH2ARKDM4E
SCHEMBL30622639 0.74 ALDH1A1 (0.51) HPGDSALDH1A1HPGDKDM4EUSP2
SCHEMBL1557653 0.74 ALDH1A1 (0.51) HPGDSALDH1A1HPGDKDM4EUSP2
SCHEMBL8902619 0.73 ALDH1A1 (0.50) STING1ALDH1A1IMPDH2ARHPGD

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
EP-2744499-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-28 EP disclosed
US-9062070-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
US-20140206618-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2014-07-24 US disclosed
EP-2744499-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-06-25 EP disclosed
WO-2013028474-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-02-28 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-20140206618-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 HPGDS 2902/4885STING1 4110/4885ALDH1A1 1462/4885

“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.