SCHEMBL3066977

SCHEMBL3066977

Cc1ccccc1ONC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
HTT P42858 2/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
PPARG P37231 1/20 0.42
CASP1 P29466 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL27676833 0.86 ALDH1A1 (0.47) NOTUMSMN1; SMN2TSHRRXRARXRB
SCHEMBL28457993 0.82 NOTUM (0.41) NOTUMSMN1; SMN2TSHRRXRARXRB
SCHEMBL31261822 0.81 TDP1 (0.41) NOTUMSMN1; SMN2TSHRRXRARXRB
SCHEMBL9322627 0.76 CTNNB1 (0.55) SMN1; SMN2TSHRHTTPOLBMEN1
SCHEMBL28259056 0.76 CTNNB1 (0.59) TSHRHTTMEN1KMT2ALMNA
SCHEMBL30910832 0.75 TSHR (0.52) NOTUMSMN1; SMN2TSHRNPSR1MEN1
SCHEMBL27590283 0.75 ALDH1A1 (0.54) SMN1; SMN2POLBMEN1KMT2ALMNA
SCHEMBL577353 0.74 PPARG (0.53) NOTUMSMN1; SMN2TSHRRXRARXRB
Bicarbonate SCHEMBL1976713 0.74 CA1 (0.54) NOTUMSMN1; SMN2TSHRRXRARXRB
SCHEMBL12850729 0.73 TSHR (0.45) NOTUMSMN1; SMN2TSHRNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261719-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-10-14 US disclosed
EP-2193132-A2 3-SPIROPYRIMIDINETRIONE-QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2010-06-09 EP disclosed
WO-2009004382-A2 3-SPIROPYRIMIDINETRIONE-QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2009-01-08 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-20100261719-A1 CHEMICAL COMPOUNDS NCOA3, NR4A3, NR0B2 NOTUM 3528/4885SMN1; SMN2 2367/4885TSHR 172/4885

“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.