SCHEMBL4875589

SCHEMBL4875589

Cc1cc(F)cc(C)c1-n1cc(C(=NOC2CCNCC2)c2ccc(F)cc2F)ccc1=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
BCL9 O00512 8/20 0.31
CTNNB1 P35222 8/20 0.31
TLR8 Q9NR97 1/20 0.31
GPR6 P46095 1/20 0.30
PLAT P00750 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
SCHEMBL4877369 1.00 TP53 (0.32) TP53THRBBCL9CTNNB1TLR8
SCHEMBL4875579 1.00 TP53 (0.32) TP53THRBBCL9CTNNB1TLR8
SCHEMBL4869472 0.96 TP53 (0.33) TP53THRBTLR8GPR6
SCHEMBL4869460 0.96 TP53 (0.33) TP53THRBTLR8GPR6
SCHEMBL4871335 0.94 HTR1A (0.34) TP53THRBTLR8GPR6
SCHEMBL4871343 0.94 HTR1A (0.34) TP53THRBTLR8GPR6
SCHEMBL4874132 0.89 KMT2A (0.37) GPR6
SCHEMBL4879530 0.89 KMT2A (0.37) GPR6
SCHEMBL4874142 0.89 KMT2A (0.37) GPR6
SCHEMBL4878095 0.89 MAPK14 (0.37)

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-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-03 US claimed
EP-1741702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP claimed
US-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-03 US disclosed
EP-1741702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 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-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof MAPK1, NOS1, NOS2 TP53 873/4885THRB 2324/4885BCL9 1079/4885

“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.