SCHEMBL530933

SCHEMBL530933

[N]OC(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.43
TDO2 P48775 8/20 0.43
DPP4 P27487 2/20 0.41
TSHR P16473 2/20 0.41
F2 P00734 1/20 0.41
SCN1A P35498 3/20 0.40
SCN2A Q99250 3/20 0.40
SCN3A Q9NY46 3/20 0.40
IDO2 Q6ZQW0 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2B P18089 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC6A2 P23975 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
SCHEMBL27280965 0.75 IDO1 (0.46) IDO1TDO2DPP4TSHRF2
SCHEMBL127629 0.75 IDO1 (0.46) IDO1TDO2DPP4TSHRF2
Water SCHEMBL11878861 0.73 IDO1 (0.44) IDO1TDO2DPP4TSHRF2
Ammonia Solution, Strong SCHEMBL7282272 0.73 IDO1 (0.44) IDO1TDO2DPP4TSHRF2
Methane SCHEMBL29089947 0.73 IDO1 (0.44) IDO1TDO2DPP4TSHRF2
SCHEMBL13278769 0.72 TSHR (0.50) IDO1TDO2DPP4TSHRF2
SCHEMBL13279556 0.72 HCAR2 (0.42) DPP4TSHRF2LMNAADRA2A
SCHEMBL303684 0.71 IDO1 (0.43) IDO1TDO2DPP4TSHRF2
SCHEMBL675765 0.71 IDO1 (0.43) IDO1TDO2DPP4TSHRF2
SCHEMBL9315772 0.71 IDO1 (0.48) IDO1TDO2DPP4TSHRF2

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1854877-B1 Process for the deacylation of cyclic lipopeptides ASTELLAS PHARMA INC (JP) 2012-02-08 EP disclosed
EP-2172546-A1 Process for the deacylation of cyclic lipopeptides Astellas Pharma Inc. (JP) 2010-04-07 EP disclosed
EP-0885957-B1 PROCESS FOR THE DEACYLATION OF CYCLIC LIPOPEPTIDES ASTELLAS PHARMA INC (JP) 2009-08-12 EP disclosed
EP-1854877-A2 Process for the deacylation of cyclic lipopeptides Astellas Pharma Inc. (JP) 2007-11-14 EP disclosed
EP-1666587-A1 Cyclic lipopeptide acylase Astellas Pharma Inc. (JP) 2006-06-07 EP disclosed
US-6825003-B2 Cyclic lipopeptide acylase FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-30 US disclosed
US-20040063959-A1 Esters and amides as PLA2 inhibitors FUKAMI NAOKI (JP) 2004-04-01 US disclosed
US-6573084-B1 Culture of Streptomyces anulatus 4811 (FERM BP-5808); deacylation of the lipid acyl moiety of FR-901379, Echinocandin B, and Aculeacin A FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-03 US disclosed
US-6537789-B1 Using isolated acylase enzyme obtained from Streptomyces FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 US disclosed
US-20020169326-A1 Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 2002-11-14 US disclosed
WO-1997003951-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 WO disclosed
EP-0741697-A1 AMINO ACID DERIVATIVES AND THEIR USE AS PHOSPHOLIPASE A2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-13 EP disclosed
US-5569646-A TREATMENT OF PNEUMONIA; MICROBIOCIDES, FUNGICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-29 US disclosed
EP-0462531-B1 Cyclic polypeptide with antibiotic activity, process for its preparation and pure culture of a Coelomycetes strain FUJISAWA PHARMACEUTICAL CO (JP) 1996-10-02 EP disclosed
EP-0729974-A1 Cyclic polypeptide with antibiotic activity and a process for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-04 EP disclosed
WO-1995019959-A1 AMINO ACID DERIVATIVES AND THEIR USE AS PHOSPHOLIPASE A2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-27 WO disclosed
EP-0644199-A1 Cyclic antimicrobial peptides and preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-22 EP disclosed
US-5376634-A Microbiocides FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-12-27 US disclosed
EP-0486011-A2 Pharmaceutical composition against Pneumocystis carinii FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-05-20 EP disclosed
EP-0462531-A2 Cyclic polypeptide with antibiotic activity, process for its preparation and pure culture of a Coelomycetes strain FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-27 EP 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 (2 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-20040063959-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B IDO1 1086/4885TDO2 2515/4885DPP4 532/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B IDO1 1163/4885TDO2 2582/4885DPP4 539/4885

“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.