SCHEMBL17010318

SCHEMBL17010318

O=C(O)Nc1cc([N+](=O)[O-])ccn1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
KMT2A Q03164 5/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
BRAF P15056 1/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL17010319 1.00 POLB (0.52) POLBKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL30285813 0.85 CYP1A2 (0.60) POLBKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL545821 0.85 CYP1A2 (0.60) POLBKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL345499 0.81 BRAF (0.61) BRAF
SCHEMBL25131740 0.81 EGFR (0.56) POLBKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL29007791 0.78 MAPT (0.47) POLBKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL28054973 0.78 POLB (0.46) POLBKMT2AMAPTMEN1ALDH1A1
SCHEMBL6508127 0.78 CGAS (0.44) POLBKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL6508122 0.78 CGAS (0.44) POLBKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL2466036 0.77 MAPT (0.46) POLBKMT2AMAPTMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093631-B2 Bifunctional compounds and use for reducing uric acid levels ACQUIST LLC (US) 2018-10-09 US disclosed
US-20170197923-A1 Bifunctional Compounds and Use for Reducing Uric Acid Levels ACQUIST LLC 2017-07-13 US disclosed
EP-3104861-A1 BIFUNCTIONAL COMPOUNDS AND USE FOR REDUCING URIC ACID LEVELS Warrell, Raymond P., Jr. (US) 2016-12-21 EP disclosed
WO-2015123003-A1 BIFUNCTIONAL COMPOUNDS AND USE FOR REDUCING URIC ACID LEVELS WARRELL RAYMOND P (US) 2015-08-20 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-20170197923-A1 Bifunctional Compounds and Use for Reducing Uric Acid Levels XDH, OAT, ATIC POLB 1443/4885KMT2A 3511/4885MAPT 3426/4885
US-10093631-B2 Bifunctional compounds and use for reducing uric acid levels XDH, OAT, ATIC POLB 1443/4885KMT2A 3511/4885MAPT 3426/4885

“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.