SCHEMBL1477562

SCHEMBL1477562

CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)oc2ccccc2c1=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.76
NR1I2 O75469 1/20 0.76
NR3C1 P04150 1/20 0.76
ADRA1A P35348 1/20 0.76
KCNH2 Q12809 1/20 0.76
KMT2A Q03164 3/20 0.56
ALB P02768 2/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 2/20 0.56
PCSK7 Q16549 1/20 0.56
HSD17B10 Q99714 1/20 0.56
VKORC1 Q9BQB6 1/20 0.56
POLB P06746 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
RECQL P46063 1/20 0.52
GALK1 P51570 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 2/20 0.47

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
SCHEMBL43382 1.00 CYP2C9 (0.76) CYP2C9NR1I2NR3C1ADRA1AKCNH2
Phenprocoumon SCHEMBL28142123 0.90 CYP2C9 (0.79) CYP2C9NR1I2NR3C1ADRA1AKCNH2
SCHEMBL1479347 0.88 CYP2C9 (0.73) CYP2C9NR1I2NR3C1ADRA1AKCNH2
SCHEMBL20806 0.88 CYP2C9 (0.73) CYP2C9NR1I2NR3C1ADRA1AKCNH2
SCHEMBL136434 0.88 CYP2C9 (0.73) CYP2C9NR1I2NR3C1ADRA1AKCNH2
Acenocoumarol SCHEMBL27497093 0.86 CYP2C9 (1.00) CYP2C9NR1I2NR3C1ADRA1AKCNH2
Acenocoumarol SCHEMBL33543 0.86 CYP2C9 (1.00) CYP2C9NR1I2NR3C1ADRA1AKCNH2
Acenocoumarol SCHEMBL29454369 0.86 CYP2C9 (1.00) CYP2C9NR1I2NR3C1ADRA1AKCNH2
Acenocoumarol SCHEMBL14662100 0.85 CYP2C9 (0.98) CYP2C9NR1I2NR3C1ADRA1AKCNH2
SCHEMBL1477912 0.84 CYP2C9 (0.63) CYP2C9NR1I2NR3C1ADRA1AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1860158-B1 Particles comprising a substrate and an anion-binding layer MERCK PATENT GMBH (DE) 2013-12-04 EP disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-7914893-B2 Particles comprising an anion-binding layer containing anion-forming organic active compounds, and method of making and using thereof MERCK PATENT GMBH (DE) 2011-03-29 US disclosed
US-20100292183-A1 TETRACYCLINE AND USES THEREOF PLAXGEN, INC. 2010-11-18 US disclosed
US-20100292183-A1 TETRACYCLINE AND USES THEREOF PLAXGEN, INC. 2010-11-18 US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed
US-20070275244-A1 Particles MERCK PATENT GMBH 2007-11-29 US disclosed
EP-1860158-A2 Particles comprising a substrate and an anion-binding layer MERCK PATENT GmbH (DE) 2007-11-28 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 (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-20100292183-A1 TETRACYCLINE AND USES THEREOF TET1, TET3, TNNT2 CYP2C9 577/4885NR1I2 1794/4885NR3C1 4392/4885

“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.