SCHEMBL1542530

SCHEMBL1542530

O=[N+]([O-])c1ccccc1CO[PH](=O)OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.54
HPGD P15428 1/20 0.50
MAOB P27338 1/20 0.49
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL8613991 0.86 ALDH1A1 (0.51) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL8613997 0.86 ALDH1A1 (0.51) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL8723683 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL12006800 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
Butane SCHEMBL11744413 0.81 MAOB (0.49) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL77922 0.81 ALDH1A1 (0.62) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL23091898 0.78 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL291637 0.78 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL261866 0.78 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL22590899 0.78 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB

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-5851724-A Method for producing lithographic plates with imaging elements comprising a photosensitive acid precursor AGFA-GEVAERT, N.V. (BE) 1998-12-22 US claimed
EP-0701173-B1 Method for producing lithographic plates with imaging elements comprising a photosensitive acid precusor AGFA GEVAERT NV (BE) 1997-11-12 EP claimed
EP-0701173-A1 Method for producing lithographic plates with imaging elements comprising a photosensitive acid precusor AGFA-GEVAERT N.V. (BE) 1996-03-13 EP claimed
US-8383824-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2013-02-26 US disclosed
EP-2501679-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-09-26 EP disclosed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
WO-2011061243-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-26 WO disclosed
US-20110123489-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2011-05-26 US disclosed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 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 (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-20110123489-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HCCS, EIF2AK2, RNASE1 ALDH1A1 125/4885TSHR 3238/4885HTT 2772/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B ALDH1A1 1136/4885TSHR 1823/4885HTT 1961/4885

“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.