SCHEMBL2547019

SCHEMBL2547019

Nc1ccc(OP(=O)(Oc2ccc(N)c3ccccc23)Oc2ccc(N)c3ccccc23)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.57
EP300 Q09472 2/20 0.55
KAT8 Q9H7Z6 2/20 0.55
HDAC3 O15379 1/20 0.42
KAT2B Q92831 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CHEK1 O14757 1/20 0.38
NEK2 P51955 1/20 0.38
LIMK1 P53667 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
GPR84 Q9NQS5 2/20 0.36
KEAP1 Q14145 3/20 0.35
CRHBP P24387 1/20 0.35

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
SCHEMBL2547022 0.85 IDO1 (0.53) IDO1EP300KAT8HDAC3KAT2B
SCHEMBL8385877 0.80 IDO1 (0.49) IDO1EP300KAT8HDAC3KAT2B
SCHEMBL234536 0.78 SRC (0.48) CYP3A4TSHRTDP1GPR84MEN1
SCHEMBL4687323 0.76 IDO1 (0.68) IDO1EP300KAT8HDAC3KAT2B
SCHEMBL2549908 0.76 IDO1 (0.52) IDO1EP300KAT8HDAC3KAT2B
SCHEMBL1699762 0.74 ALDH1A1 (0.50) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL3290982 0.72 CYP3A4 (0.32) CYP3A4TSHR
SCHEMBL331453 0.72 IDO1 (1.00) IDO1EP300KAT8HDAC3KAT2B
SCHEMBL201893 0.72 ALDH1A1 (0.73) IDO1EP300KAT8HDAC3KAT2B
SCHEMBL29404342 0.72 ALDH1A1 (0.73) IDO1EP300KAT8HDAC3KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10155973-B2 Methods for detecting organisms and enzymatic reactions using raman spectroscopy and aromatic compounds comprising phosphate SWORD DIAGNOSTICS, INC. (US) 2018-12-18 US disclosed
US-10094831-B2 Norovirus detection sensor and electrochemical sensing method using the same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2018-10-09 US disclosed
WO-2016036145-A1 NOROVIRUS DETECTING SENSOR AND ELECTROCHEMICAL SENSING METHOD USING SAME 광주과학기술원 2016-03-10 WO disclosed
US-20160061834-A1 NOROVIRUS DETECTION SENSOR AND ELECTROCHEMICAL SENSING METHOD USING THE SAME GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-03-03 US disclosed
US-20150218615-A1 METHODS FOR DETECTING ORGANISMS AND ENZYMATIC REACTIONS USING RAMAN SPECTROSCOPY AND AROMATIC COMPOUNDS COMPRISING PHOSPHATE SWORD DIAGNOSTICS, INC. (US) 2015-08-06 US disclosed
EP-2553117-A1 METHODS FOR DETECTING RAMAN SCATTERING USING AROMATIC COMPOUNDS COMPRISING PHOSPHATE AND AT LEAST ONE NON-LASER LIGHT SOURCE Sword Diagnostics, Inc. (US) 2013-02-06 EP disclosed
WO-2011123386-A1 METHODS FOR DETECTING RAMAN SCATTERING USING AROMATIC COMPOUNDS COMPRISING PHOSPHATE AND AT LEAST ONE NON-LASER LIGHT SOURCE KUNDU SAMAR KUMAR (US) 2011-10-06 WO disclosed
WO-2010096260-A1 METHODS FOR DETECTING ORGANISMS AND ENZYMATIC REACTIONS USING RAMAN SPECTROSCOPY AND AROMATIC COMPOUNDS COMPRISING PHOSPHATE SWORD DIAGNOSTICS, INC. (US) 2010-08-26 WO disclosed
US-20100041016-A1 METHODS FOR DETECTING ORGANISMS AND ENZYMATIC REACTIONS USING RAMAN SPECTROSCOPY AND AROMATIC COMPOUNDS COMPRISING PHOSPHATE SWORD DIAGNOSTICS, INC. 2010-02-18 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-20100041016-A1 METHODS FOR DETECTING ORGANISMS AND ENZYMATIC REACTIONS USING RAMAN SPECTROSCOPY AND AROMATIC COMPOUNDS COMPRISING PHOSPHATE PNP, ARSA, PGLS IDO1 1969/4885EP300 2544/4885KAT8 4475/4885

“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.