SCHEMBL3450203

SCHEMBL3450203

CCC(CC)C(NC(=O)Nc1ccc(Cl)cc1)C(=O)N1CCN(N2Cc3cnc(C)n3C2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.48
F2 P00734 2/20 0.39
CCR1 P32246 2/20 0.39
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
KMT2A Q03164 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX2 P34913 1/20 0.33
P2RY12 Q9H244 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CCKBR P32239 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FPR2 P25090 1/20 0.33
AURKA O14965 1/20 0.32

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
SCHEMBL13108394 0.93 F10 (0.47) F10F2CCR1RAB9AMEN1
SCHEMBL3449002 0.93 F10 (0.47) F10F2CCR1RAB9AMEN1
SCHEMBL13123191 0.92 F10 (0.41) F10F2CCR1EPHX2FPR2
SCHEMBL3451344 0.91 CCR1 (0.48) F10F2CCR1FPR2KCNH2
SCHEMBL14541250 0.90 F10 (0.40) F10F2MEN1KMT2A
SCHEMBL13108418 0.86 F10 (0.47) F10F2CCR1RAB9AMEN1
SCHEMBL3448224 0.85 F10 (0.48) F10F2CCR1RAB9AMEN1
SCHEMBL3450529 0.85 F10 (0.55) F10F2CCR1EPHX2
SCHEMBL3449908 0.85 F10 (0.47) F10F2CCR1RAB9AMEN1
SCHEMBL3451874 0.85 F10 (0.47) F10F2CCR1RAB9AMEN1

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 5 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-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
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 22/4885F2 1/4885CCR1 2570/4885

“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.