SCHEMBL4549698

SCHEMBL4549698

Cc1nc(CC(=O)O)ccc1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
DGAT1 O75907 1/20 0.39
AR P10275 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 3/20 0.38
SLC22A12 Q96S37 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
MBOAT4 Q96T53 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
XDH P47989 3/20 0.37

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
SCHEMBL3956407 0.84 S1PR1 (0.50) SMN1; SMN2ARKDM4ESLC22A12S1PR1
SCHEMBL16224716 0.79 CCR1 (0.42) SMN1; SMN2ARTSHRMAPK1KDM4E
SCHEMBL10271764 0.78 MBOAT4 (0.39) ARTSHRMAPK1KDM4EALDH1A1
SCHEMBL25786523 0.75 MBOAT4 (0.37) SMN1; SMN2ARTSHRMAPK1KDM4E
SCHEMBL25523392 0.75 MBOAT4 (0.37) ARTSHRMAPK1MBOAT4TDP1
SCHEMBL16213203 0.75 MBOAT4 (0.37) SMN1; SMN2ARTSHRMAPK1KDM4E
SCHEMBL25301682 0.74 RAB9A (0.42) SMN1; SMN2MAPK1KDM4EALDH1A1POLB
SCHEMBL12870164 0.74 KDM4E (0.51) SMN1; SMN2ARTSHRKDM4ETDP1
SCHEMBL30484050 0.74 RAB9A (0.42) SMN1; SMN2MAPK1KDM4EALDH1A1POLB
SCHEMBL26089258 0.74 AKR1B1 (0.41) SMN1; SMN2DGAT1KDM4EALDH1A1POLB

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
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 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

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 SMN1; SMN2 1934/4885DGAT1 2524/4885AR 2374/4885

“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.