SCHEMBL20587122

SCHEMBL20587122

O=[N+]([O-])c1cccc(OP(=O)(O)Cl)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.49
TSHR P16473 1/20 0.45
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.38
S100A4 P26447 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HSPB1 P04792 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
INPPL1 O15357 1/20 0.36
INPP5B P32019 1/20 0.36
INPP5A Q14642 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36

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
SCHEMBL845400 0.87 GPR35 (0.51) GPR35TSHRALDH1A1TDP1HPGD
SCHEMBL845399 0.87 GPR35 (0.51) GPR35TSHRALDH1A1TDP1HPGD
SCHEMBL8085364 0.85 ALDH1A1 (0.53) GPR35TSHRALDH1A1TDP1HPGD
SCHEMBL8085366 0.85 ALDH1A1 (0.53) GPR35TSHRALDH1A1TDP1HPGD
SCHEMBL845398 0.83 GPR35 (0.50) GPR35TSHRALDH1A1TDP1HPGD
Hydrochloric Acid SCHEMBL29211442 0.81 GPR35 (0.49) GPR35TSHRALDH1A1TDP1HPGD
SCHEMBL11111392 0.76 ALDH1A1 (0.53) GPR35TSHRALDH1A1TDP1HPGD
SCHEMBL11111389 0.76 ALDH1A1 (0.53) GPR35TSHRALDH1A1TDP1HPGD
SCHEMBL28220465 0.76 GPR35 (0.58) GPR35TSHRALDH1A1TDP1HPGD
SCHEMBL6136622 0.76 GPR35 (0.57) GPR35TSHRALDH1A1TDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530298-B2 Poly(phosphoesters) for delivery of nucleic acids TRANSLATE BIO, INC. (US) 2022-12-20 US disclosed
EP-4047039-A1 POLY(PHOSPHOESTERS) FOR DELIVERY OF NUCLEIC ACIDS Translate Bio, Inc. (US) 2022-08-24 EP disclosed
EP-3638716-B1 POLY(PHOSPHOESTERS) FOR DELIVERY OF NUCLEIC ACIDS TRANSLATE BIO INC (US) 2022-01-05 EP disclosed
US-20200277446-A1 POLY(PHOSPHOESTERS) FOR DELIVERY OF NUCLEIC ACIDS TRANSLATE BIO, INC. 2020-09-03 US disclosed
EP-3638716-A1 POLY(PHOSPHOESTERS) FOR DELIVERY OF NUCLEIC ACIDS Translate Bio, Inc. (US) 2020-04-22 EP disclosed
WO-2018231709-A1 POLY(PHOSPHOESTERS) FOR DELIVERY OF NUCLEIC ACIDS TRANSLATE BIO, INC. (US) 2018-12-20 WO 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-20200277446-A1 POLY(PHOSPHOESTERS) FOR DELIVERY OF NUCLEIC ACIDS POLR2E, POLR2H, POLR1A GPR35 4341/4885TSHR 2045/4885ALDH1A1 1556/4885
US-11530298-B2 Poly(phosphoesters) for delivery of nucleic acids POLR2E, POLR2H, POLR1A GPR35 4341/4885TSHR 2045/4885ALDH1A1 1556/4885

“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.