SCHEMBL2733737

SCHEMBL2733737

CSc1cc(-n2cnnn2)ccc1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.47
KMT2A Q03164 3/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 2/20 0.41
NOTUM Q6P988 1/20 0.41
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2731768 0.83 KCNJ1 (0.54) KCNJ1KMT2ATP53SMN1; SMN2ALDH1A1
SCHEMBL2732218 0.80 KCNJ1 (0.47) KCNJ1KMT2ATP53SMN1; SMN2ALDH1A1
SCHEMBL15824708 0.80 NOTUM (0.59) KCNJ1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL6994169 0.77 KCNJ1 (0.50) KCNJ1KMT2ATP53SMN1; SMN2ALDH1A1
SCHEMBL15826703 0.77 KCNJ1 (0.47) KCNJ1KMT2ATP53SMN1; SMN2ALDH1A1
SCHEMBL2731716 0.77 KMT2A (0.44) KCNJ1KMT2ATP53SMN1; SMN2ALDH1A1
SCHEMBL2733700 0.77 NOTUM (0.58) KCNJ1KMT2ATP53SMN1; SMN2ALDH1A1
SCHEMBL15824652 0.77 KMT2A (0.46) KCNJ1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL15191885 0.74 KMT2A (0.64) KMT2ATP53SMN1; SMN2ALDH1A1TSHR
SCHEMBL2730326 0.73 QPCT (0.60) KCNJ1KMT2ASMN1; SMN2ALDH1A1GAA

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 11 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
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US 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
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
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US 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
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 2/4885KMT2A 1177/4885TP53 4844/4885

“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.