SCHEMBL6802117

SCHEMBL6802117

CC(C)c1cccc(C(C)C)c1NC(=O)NC(c1ccc(OC(=O)CN2CCOCC2)cc1)C(c1ccccn1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NMBR P28336 1/20 0.38
SOAT1 P35610 2/20 0.38
SOAT2 O75908 1/20 0.38
TACR2 P21452 1/20 0.36
TACR3 P29371 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
EPHX2 P34913 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6182341 0.77 NMBR (0.39) NMBRKDM4E
SCHEMBL6183629 0.73 NMBR (0.39) KMT2ANMBR
SCHEMBL6184297 0.73 NMBR (0.40) NMBR
SCHEMBL6182145 0.72 NMBR (0.39) NMBR
SCHEMBL6802108 0.69 NMBR (0.42) MEN1KMT2ATDP1NMBRSOAT1
SCHEMBL3412535 0.63 NMBR (0.48) KMT2ANMBREPHX2
SCHEMBL3409677 0.62 NMBR (0.49) NMBRSOAT1SOAT2EPHX2
SCHEMBL6181051 0.62 NMBR (0.53) NMBR
SCHEMBL6182113 0.62 NMBR (0.50) NMBR
SCHEMBL6183997 0.62 NMBR (0.41) MEN1KMT2ATDP1NMBRSOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR MEN1 368/4885KMT2A 3959/4885TDP1 976/4885

“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.