SCHEMBL3206720

SCHEMBL3206720

CO[C@@H](C)COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
RORC P51449 1/20 0.41
DHODH Q02127 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.38
MAPK8 P45983 2/20 0.38
MAPK10 P53779 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 2/20 0.37
ALOX15 P16050 2/20 0.37
MAPT P10636 1/20 0.37
MPI P34949 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
JAK2 O60674 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
SCHEMBL3191049 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBRORCDHODH
SCHEMBL402588 0.90 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBRORCDHODH
Omecamtiv Mecarbil SCHEMBL29400097 0.90 RORC (0.47) ALDH1A1KDM4EPOLBRORCDHODH
Omecamtiv Mecarbil SCHEMBL400544 0.90 RORC (0.47) ALDH1A1KDM4EPOLBRORCDHODH
SCHEMBL3204678 0.89 RORC (0.43) ALDH1A1KDM4EPOLBRORCDHODH
SCHEMBL3204688 0.89 RORC (0.43) ALDH1A1KDM4EPOLBRORCDHODH
SCHEMBL3205464 0.89 ALDH1A1 (0.40) ALDH1A1KDM4EPOLBRORCDHODH
SCHEMBL3198733 0.89 RORC (0.41) ALDH1A1KDM4EPOLBRORCDHODH
SCHEMBL3196568 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBRORCDHODH
SCHEMBL5069789 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBRORCDHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP claimed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US claimed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO claimed
US-8871768-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2014-10-28 US disclosed
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2013-12-05 US disclosed
US-8445495-B2 Certain Chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-05-21 US disclosed
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-02-04 US disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 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 (3 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-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 ALDH1A1 3619/4885KDM4E 2547/4885POLB 4326/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 ALDH1A1 3619/4885KDM4E 2547/4885POLB 4326/4885
US-20100029680-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.