SCHEMBL14090848

SCHEMBL14090848

CC(=N)NCCC[C@H](NC(=O)c1cccn(Cc2ccc3ccccc3c2)c1=O)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.39
▸ PDPK1 O15530 7/20 0.38
▸ BRD2 P25440 1/20 0.38
▸ BRD3 Q15059 1/20 0.38
▸ BRDT Q58F21 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ C3AR1 Q16581 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL14090837 0.90 BRD4 (0.49) BRD4BRD2BRD3BRDTKDM4E
SCHEMBL14090857 0.86 NPSR1 (0.36) KDM4EALDH1A1SMN1; SMN2PAX8TDP1
SCHEMBL14090861 0.83 NPSR1 (0.42) BRD4BRD2BRD3BRDTKDM4E
SCHEMBL14090856 0.82 C3AR1 (0.40) BRD4KDM4EALDH1A1C3AR1PAX8
SCHEMBL14090845 0.82 BRD4 (0.53) BRD4PDPK1BRD2BRD3BRDT
SCHEMBL4993059 0.80 C3AR1 (0.51) BRD4PDPK1BRD2BRD3BRDT
SCHEMBL14090883 0.79 BRD4 (0.52) BRD4PDPK1BRD2BRD3BRDT
SCHEMBL4986504 0.79 BRD4 (0.58) BRD4BRD2BRD3BRDTKDM4E
SCHEMBL14090936 0.78 BRD4 (0.50) BRD4BRD2BRD3BRDTKDM4E
SCHEMBL14090868 0.77 NPSR1 (0.36) PDPK1KDM4EALDH1A1PAX8TDP1

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-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 — — 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 BRD4 2776/4885PDPK1 2942/4885BRD2 4008/4885

“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.

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