SCHEMBL6190821

SCHEMBL6190821

CC(=O)NC(Cc1cccc([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ITGB1 P05556 1/20 0.48
ITGA4 P13612 1/20 0.48
ITGB7 P26010 1/20 0.48
PSMB1 P20618 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB2 P49721 1/20 0.48
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
GRM8 O00222 1/20 0.46

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
SCHEMBL6190824 1.00 CYP2D6 (0.49) CYP2D6CYP2C9CYP2C19RECQLSMN1; SMN2
SCHEMBL6193353 1.00 CYP2D6 (0.49) CYP2D6CYP2C9CYP2C19RECQLSMN1; SMN2
SCHEMBL6194780 1.00 CYP2D6 (0.49) CYP2D6CYP2C9CYP2C19RECQLSMN1; SMN2
SCHEMBL6193349 1.00 CYP2D6 (0.49) CYP2D6CYP2C9CYP2C19RECQLSMN1; SMN2
SCHEMBL2780433 1.00 CYP2D6 (0.49) CYP2D6CYP2C9CYP2C19RECQLSMN1; SMN2
SCHEMBL7173228 0.96 ITGB1 (0.48) CYP2D6CYP2C9CYP2C19RECQLSMN1; SMN2
SCHEMBL6751575 0.85 TACR1 (0.51) CYP2D6CYP2C9CYP2C19RECQLALDH1A1
SCHEMBL6370800 0.85 TACR1 (0.51) CYP2D6CYP2C9CYP2C19RECQLALDH1A1
SCHEMBL27462559 0.85 TACR1 (0.51) CYP2D6CYP2C9CYP2C19RECQLALDH1A1
SCHEMBL25453255 0.84 CYP2D6 (0.52) CYP2D6CYP2C9CYP2C19RECQLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299365-B1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA SA (FR) 2005-09-28 EP disclosed
US-6833382-B2 By muta-synthesis using a mutated micro-organism to influence the biosynthesis of at least one of the precursors of group B streptogramines; mutant strain employed is preferably derived from the strain S. pristinaespiralis SP92 AVENTIS PHARMA S.A. (FR) 2004-12-21 US disclosed
EP-1299365-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS Aventis Pharma S.A. (FR) 2003-04-09 EP disclosed
US-20020142947-A1 STREPTOGRAMINS AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS AVENTIS PHARMA, S.A. 2002-10-03 US disclosed
US-6352839-B1 PREPARING VIRGINIAMYCINS FROM AN ENGINEERED MICROORGANISMS, HAVING THE ABILITY TO PREVENT BIOSYNTHESIS OF THE PRECURSOR ANTIBIOTIC; THE MICROORGANISM IS CULTURED IN THE PRESENCE OF A SECOND PRECURSOR AND THE STREPTOGRAMIN ANALOG IS RECOVERED AVENTIS PHARMA S.A. (FR) 2002-03-05 US disclosed
WO-2001094325-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2001-12-13 WO 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-20020142947-A1 STREPTOGRAMINS AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS EMG1, FBL, SMS CYP2D6 944/4885CYP2C9 1285/4885CYP2C19 1426/4885

“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.