SCHEMBL3449573

SCHEMBL3449573

COCC(C)(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCN(N2Cc3cnc(C)n3C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.41
HRH2 P25021 6/20 0.33
HRH1 P35367 6/20 0.33
MAPK1 P28482 1/20 0.31
F2 P00734 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TGM2 P21980 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL3448865 0.90 F10 (0.41) F10HRH2HRH1MAPK1F2
SCHEMBL3447722 0.90 F10 (0.40) F10HRH2HRH1MAPK1F2
SCHEMBL3448449 0.89 F10 (0.41) F10HRH2HRH1MAPK1F2
SCHEMBL3449159 0.88 F10 (0.42) F10HRH2HRH1MAPK1F2
SCHEMBL3448912 0.87 F10 (0.40) F10HRH2HRH1MAPK1F2
SCHEMBL3449802 0.87 F10 (0.41) F10HRH2HRH1MAPK1ALDH1A1
SCHEMBL3448658 0.84 F10 (0.41) F10HRH2HRH1MAPK1F2
SCHEMBL3447872 0.83 F10 (0.41) F10HRH2HRH1MAPK1F2
SCHEMBL13123138 0.83 F10 (0.39) F10F2
SCHEMBL3449890 0.83 F10 (0.45) F10F2ALDH1A1LMNAKMT2A

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-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP 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-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 F10 22/4885HRH2 66/4885HRH1 172/4885

“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.