SCHEMBL3728969

SCHEMBL3728969

CCCOC(=O)N1CCN(Cc2ccc(F)c(CNC(=O)Nc3ccc(C)nc3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
FAAH O00519 4/20 0.39
NAMPT P43490 3/20 0.38
KCNH2 Q12809 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRNA7 P36544 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 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
SCHEMBL3744319 0.95 ALDH1A1 (0.47) ALDH1A1KDM4EPOLBFAAHNAMPT
SCHEMBL3738762 0.92 LMNA (0.40) ALDH1A1KDM4EPOLBFAAHNAMPT
SCHEMBL3742347 0.91 FAAH (0.41) ALDH1A1KDM4EPOLBFAAHNAMPT
SCHEMBL3735920 0.88 TBK1 (0.45) FAAHNAMPTMEN1KMT2A
SCHEMBL3728967 0.88 NAMPT (0.41) FAAHNAMPTCHRNA7
SCHEMBL400431 0.88 NPC1 (0.41) ALDH1A1KDM4EPOLBFAAHKCNH2
SCHEMBL3728465 0.87 MEN1 (0.43) ALDH1A1FAAHNAMPTCHRNA7MEN1
SCHEMBL3742929 0.87 LMNA (0.45) ALDH1A1KDM4EPOLBFAAHNAMPT
SCHEMBL3735778 0.87 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBFAAHNAMPT
SCHEMBL3730582 0.86 PIK3CA (0.46) ALDH1A1KDM4EPOLBNAMPTKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825120-B2 Certain substituted ((piperazin-1-ylmethyl)benzyl)ureas CYTOKINETICS, INC. (US) 2010-11-02 US claimed
EP-1959963-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP claimed
US-20070197504-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US claimed
WO-2007089336-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-08-09 WO claimed
US-7825120-B2 Certain substituted ((piperazin-1-ylmethyl)benzyl)ureas CYTOKINETICS, INC. (US) 2010-11-02 US disclosed
US-20070197504-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US 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-20070197504-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 ALDH1A1 3619/4885KDM4E 2547/4885POLB 4326/4885

“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.