SCHEMBL3203873

SCHEMBL3203873

CN1CCCC(COc2ccc([N+](=O)[O-])cc2F)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.48
S1PR4 O95977 1/20 0.47
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
EGFR P00533 3/20 0.41
FGFR1 P11362 3/20 0.41
FLT1 P17948 3/20 0.41
FLT4 P35916 3/20 0.41
KDR P35968 3/20 0.41
HRH3 Q9Y5N1 4/20 0.41
DRD4 P21917 2/20 0.41
SIGMAR1 Q99720 2/20 0.40
HSPB1 P04792 1/20 0.40

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
SCHEMBL5799233 0.95 CYP19A1 (0.45) CYP19A1S1PR4CHRNB4CHRNA3MAOA
SCHEMBL19462043 0.87 DRD4 (0.52) CYP19A1CHRNB4CHRNA3MAOAMAOB
SCHEMBL8791874 0.87 DRD4 (0.52) CYP19A1CHRNB4CHRNA3MAOAMAOB
SCHEMBL13419646 0.87 S1PR4 (0.50) CYP19A1S1PR4CHRNB4CHRNA3HRH3
SCHEMBL22069747 0.85 CYP19A1 (0.59) CYP19A1S1PR4SIGMAR1HSPB1
SCHEMBL2551985 0.83 S1PR4 (0.54) CYP19A1S1PR4SIGMAR1HSPB1
SCHEMBL13419616 0.82 SCN9A (0.59) CYP19A1S1PR4
SCHEMBL13419606 0.81 CYP19A1 (0.44) CYP19A1S1PR4CHRNB4CHRNA3HSPB1
SCHEMBL3190605 0.81 SIGMAR1 (0.61) CHRNB4CHRNA3MAOAMAOBHRH3
SCHEMBL13419327 0.81 MAOA (0.46) MAOAMAOBEGFRFGFR1FLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 US disclosed
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 US disclosed
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 US disclosed
EP-1682531-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-07-26 EP disclosed
EP-1654238-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2006-05-10 EP disclosed
US-20050107374-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-05-19 US disclosed
WO-2005042518-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-05-12 WO disclosed
WO-2005009978-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 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 (3 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-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 CYP19A1 434/4885S1PR4 1608/4885CHRNB4 1691/4885
US-20050107374-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 CYP19A1 923/4885S1PR4 1399/4885CHRNB4 1960/4885
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives STAT6, RELA, NFKB2 CYP19A1 2196/4885S1PR4 1589/4885CHRNB4 1582/4885

“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.