SCHEMBL4435296

SCHEMBL4435296

CCCOc1ccc(C(=O)N[C@@H](CCC(C(=O)O)N(C)C)Cc2ccc(-c3cn(C)c(C(C)=O)n3)cc2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 2/20 0.41
GCGR P47871 2/20 0.37
GIPR P48546 2/20 0.37
PPARG P37231 10/20 0.36
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
P2RX3 P56373 1/20 0.33

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
SCHEMBL4435290 0.90 CENPE (0.51) CENPETAS1R3TAS1R1
SCHEMBL4773463 0.89 CENPE (0.45) CENPEGCGRGIPRPPARGTAS1R3
SCHEMBL3233585 0.87 CENPE (0.41) CENPEGCGRGIPRPPARGTAS1R3
SCHEMBL3229991 0.87 CENPE (0.45) CENPEGCGRGIPRPPARGTAS1R3
SCHEMBL3223158 0.86 CENPE (0.39) CENPEGCGRGIPRPPARGTAS1R3
SCHEMBL6033204 0.86 CENPE (0.39) CENPEGCGRGIPRPPARGTAS1R3
SCHEMBL3228196 0.85 CENPE (0.42) CENPEGCGRGIPRPPARGTAS1R3
SCHEMBL2630622 0.83 CENPE (0.46) CENPETAS1R3TAS1R1ALDH1A1MAPT
SCHEMBL3228312 0.80 CENPE (0.42) CENPEGCGRGIPRPPARGTAS1R3
SCHEMBL13162803 0.79 CENPE (0.50) CENPEP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US claimed
US-7582668-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2009-09-01 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 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-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885GCGR 4790/4885GIPR 4660/4885

“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.