SCHEMBL5069800

SCHEMBL5069800

CNC(C)Nc1ccc(C)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
SLC22A12 Q96S37 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
SORT1 Q99523 1/20 0.33
MAPT P10636 1/20 0.33
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
GRM5 P41594 2/20 0.31

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
SCHEMBL12697206 0.82 TDP1 (0.43) HDAC1HDAC6NPSR1KCNQ3KCNQ2
SCHEMBL15223665 0.78 NPSR1 (0.41) HDAC1HDAC6NPSR1KCNQ3KCNQ2
SCHEMBL12697232 0.76 TP53 (0.61) HDAC1HDAC6NPSR1KCNQ3KCNQ2
SCHEMBL30937277 0.74
SCHEMBL1746357 0.74
SCHEMBL26698513 0.73 KDM4E (0.54) HDAC1HDAC6ALDH1A1GAA
SCHEMBL15426953 0.73
SCHEMBL31335160 0.73
Hydrochloric Acid SCHEMBL5077168 0.73 NPSR1 (0.41) HDAC1HDAC6NPSR1KCNQ3KCNQ2
SCHEMBL22137313 0.72 NPSR1 (0.43) HDAC1HDAC6NPSR1KCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513257-B2 Ureas and their use in the treatment of heart failure CYTOKINETICS, INCORPORATED (US) 2013-08-20 US disclosed
US-20120172372-A1 Ureas and Their Use in the Treatment of Heart Failure CYTOKINETICS, INC. 2012-07-05 US disclosed
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 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-20120172372-A1 Ureas and Their Use in the Treatment of Heart Failure TNNI3, TNNT2, MYLK2 HDAC1 1498/4885HDAC6 357/4885NPSR1 4262/4885

“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.