SCHEMBL3768784

SCHEMBL3768784

CC[C@H](CNCCCOC)n1c(O)nc2ncc(Cl)cc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.33
LMNA P02545 3/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 1/20 0.30
PTBP1 P26599 1/20 0.30

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
SCHEMBL3766936 0.89
SCHEMBL3667642 0.87 BACE1 (0.31)
SCHEMBL3669875 0.86 BACE1 (0.30)
SCHEMBL3669422 0.84 CRHR1 (0.33) LMNAGAAPTBP1
SCHEMBL3667708 0.81 HRH4 (0.33)
SCHEMBL3666328 0.81 BACE1 (0.36) HTT
SCHEMBL3672320 0.79 BACE1 (0.35) SMN1; SMN2
SCHEMBL13007647 0.79 MAPK1 (0.33) MAPK1HTT
SCHEMBL3669348 0.78 CRHR1 (0.31)
SCHEMBL3668395 0.78 BACE1 (0.34) MAPK1ALDH1A1SMN1; SMN2

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-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US claimed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US claimed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 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-20080242695-A1 Certain Chemical Entities, Compositions, and Methods TNNC1, TNNI3, TNNT2 KDM4E 4360/4885LMNA 391/4885MAPK1 2679/4885

“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.