SCHEMBL871584

SCHEMBL871584

O=C(O)CNC(=NO)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ABAT P80404 1/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CES1 P23141 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HIF1A Q16665 1/20 0.42

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
Water SCHEMBL27861974 0.98 TSHR (0.47) TSHRALDH1A1NPSR1ABATGAA
SCHEMBL28979912 0.78 SMN1; SMN2 (0.64) ALDH1A1ABATGAASMN1; SMN2KDM4E
SCHEMBL872298 0.76 ATM (0.42) TSHRALDH1A1NPSR1GAASMN1; SMN2
SCHEMBL21163690 0.76 ATM (0.42) TSHRALDH1A1NPSR1GAASMN1; SMN2
SCHEMBL7459183 0.76 TSHR (0.40) TSHRALDH1A1NPSR1GAASMN1; SMN2
Hippuric Acid SCHEMBL7486 0.75 GAA (0.68) GAASMN1; SMN2KDM4EMAPTALOX15
SCHEMBL22030672 0.75 GAA (0.68) GAASMN1; SMN2KDM4EMAPTALOX15
Hippuric Acid SCHEMBL428479 0.75 GAA (0.68) GAASMN1; SMN2KDM4EMAPTALOX15
SCHEMBL28635370 0.74 ALOX12 (0.50) ALDH1A1GAAMAPTMEN1HPGD
SCHEMBL28635369 0.74 ALOX12 (0.50) ALDH1A1GAAMAPTMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376074-B1 METHOD FOR IMPROVED BIOACTIVATION OF MEDICATIONS DRITTE PATENTPORTFOLIO BETEILI (DE) 2019-03-13 EP disclosed
US-20120077876-A1 Method For Improved Bioactivation Of Pharmaceuticals DRITTE PATENTPORTFOLIO BETEILIGUNGSGESELLSCHAFT MBH & CO. KG (DE) 2012-03-29 US disclosed
CN-102378628-A Method for improved bioactivation of medications UNIV KIEL CHRISTIAN ALBRECHTS 2012-03-14 CN disclosed
EP-2376074-A1 METHOD FOR IMPROVED BIOACTIVATION OF MEDICATIONS Dritte Patentportfolio Beteiligungsgesellschaft mbH & Co. KG (DE) 2011-10-19 EP disclosed
WO-2010078867-A1 METHOD FOR IMPROVED BIOACTIVATION OF MEDICATIONS CHRISTIAN-ALBRECHTS-UNIVERSITÄT ZU KIEL (DE) 2010-07-15 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 (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-20120077876-A1 Method For Improved Bioactivation Of Pharmaceuticals CYP2B6, CYP1A2, CYP2D6 TSHR 298/4885ALDH1A1 95/4885NPSR1 249/4885

“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.