SCHEMBL14090883

SCHEMBL14090883

COC(=O)[C@H](CCCCNC(C)=N)NC(=O)c1cccn(Cc2ccccc2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.52
▸ BRD2 P25440 1/20 0.51
▸ BRD3 Q15059 1/20 0.51
▸ BRDT Q58F21 1/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CNR1 P21554 3/20 0.46
▸ CNR2 P34972 3/20 0.46
▸ POLB P06746 3/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ HTT P42858 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TP53 P04637 2/20 0.43
▸ C3AR1 Q16581 1/20 0.43
▸ PDPK1 O15530 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL14090845 0.97 BRD4 (0.53) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL4986504 0.89 BRD4 (0.58) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL14090837 0.89 BRD4 (0.49) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL14090936 0.84 BRD4 (0.50) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL14090980 0.84 CA1 (0.40) MAPTCNR2POLBCA1CA2
SCHEMBL4994923 0.83 KMT2A (0.52) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL4993499 0.82 C3AR1 (0.55) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL4987936 0.82 C3AR1 (0.51) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL4986830 0.81 BRD4 (0.48) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL14090865 0.81 CA1 (0.37) CNR1CNR2CA1CA2KDM4E

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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