SCHEMBL650559

SCHEMBL650559

CCCCn1c(-c2ccccc2)nc(Br)c1CN(Cc1ccc(C(=O)OC)cc1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 6/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 2/20 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
SCHEMBL651293 0.92 C5AR1 (0.49) C5AR1SIRT2GSK3AGSK3BPTGDR2
SCHEMBL650282 0.92 C5AR1 (0.51) C5AR1SIRT2PTGDR2CYP2C8CYP2C9
SCHEMBL648086 0.92 C5AR1 (0.55) C5AR1SIRT2GSK3AGSK3BPTGDR2
SCHEMBL651546 0.91 C5AR1 (0.48) C5AR1SIRT2GSK3AGSK3BPTGDR2
SCHEMBL648477 0.89 C5AR1 (0.46) C5AR1SIRT2GSK3AGSK3BPTGDR2
SCHEMBL651054 0.89 C5AR1 (0.52) C5AR1SIRT2GSK3AGSK3BPTGDR2
SCHEMBL648085 0.89 C5AR1 (0.46) C5AR1SIRT2GSK3AGSK3BPTGDR2
SCHEMBL651025 0.89 C5AR1 (0.48) C5AR1SIRT2GSK3AGSK3BPTGDR2
SCHEMBL650615 0.88 C5AR1 (0.49) C5AR1SIRT2GSK3AGSK3BPTGDR2
SCHEMBL651607 0.88 C5AR1 (0.51) C5AR1SIRT2GSK3AGSK3BPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119667-B2 Carbonates of fenicol antibiotics SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2012-02-21 US claimed
EP-1966129-B1 CARBONATES OF FENICOL ANTIBIOTICS SCHERING PLOUGH LTD (CH) 2011-08-17 EP claimed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119667-B2 Carbonates of fenicol antibiotics SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2012-02-21 US disclosed
EP-1966129-B1 CARBONATES OF FENICOL ANTIBIOTICS SCHERING PLOUGH LTD (CH) 2011-08-17 EP disclosed
EP-1966129-A2 CARBONATES OF FENICOL ANTIBIOTICS Schering-Plough Ltd. (CH) 2008-09-10 EP disclosed
WO-2007079010-A2 CARBONATES OF FENICOL ANTIBIOTICS SCHERING-PLOUGH LTD. (CH) 2007-07-12 WO disclosed
US-20070155799-A1 CARBONATES OF FENICOL ANTIBIOTICS INTERVET INC. 2007-07-05 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 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-20070155799-A1 CARBONATES OF FENICOL ANTIBIOTICS CYP4F3, TET1, CYP4F2 C5AR1 3238/4885SIRT2 1742/4885GSK3A 1651/4885

“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.