SCHEMBL14090874

SCHEMBL14090874

CC(=N)NCCC[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.48
▸ BRD2 P25440 1/20 0.48
▸ BRD3 Q15059 1/20 0.48
▸ BRDT Q58F21 1/20 0.48
▸ NPSR1 Q6W5P4 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ POLB P06746 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39

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
SCHEMBL14090877 0.84 NPSR1 (0.44) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL14090837 0.83 BRD4 (0.49) BRD4BRD2BRD3BRDTNPSR1
SCHEMBL14090872 0.79 NPSR1 (0.46) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL4986587 0.79 BRD4 (0.52) BRD4BRD2BRD3BRDTMAPT
SCHEMBL14090858 0.78 NPSR1 (0.42) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL14090848 0.74 BRD4 (0.39) BRD4BRD2BRD3BRDTNPSR1
SCHEMBL14090861 0.73 NPSR1 (0.42) BRD4BRD2BRD3BRDTNPSR1
SCHEMBL13702152 0.73 BRD4 (0.73) BRD4BRD2BRD3BRDTMAPT
SCHEMBL14090845 0.73 BRD4 (0.53) BRD4BRD2BRD3BRDTMAPT
SCHEMBL14090878 0.71 NPSR1 (0.50) NPSR1MAPTMEN1KMT2AALDH1A1

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 2776/4885BRD2 4008/4885BRD3 3120/4885

“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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