SCHEMBL4908338

SCHEMBL4908338

O=C(NNc1ccccc1)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.69
P2RX7 Q99572 1/20 0.59
ALDH1A1 P00352 5/20 0.58
MGLL Q99685 1/20 0.58
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HTT P42858 1/20 0.53
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL10429616 0.89 GAA (0.59) GAAP2RX7ALDH1A1MGLLPOLB
SCHEMBL2295789 0.86 CA12 (0.66) GAAP2RX7ALDH1A1MGLLCA12
SCHEMBL38652348 0.85 MGLL (0.57) GAAP2RX7ALDH1A1MGLLCA12
SCHEMBL27706331 0.85 NAMPT (0.60) GAAP2RX7ALDH1A1MGLLPOLB
Benzyl Phenylcarbamate SCHEMBL1222943 0.83 POLB (0.78) ALDH1A1MGLLPOLBSMN1; SMN2LMNA
SCHEMBL27642853 0.82 P2RX7 (0.50) GAAP2RX7ALDH1A1MGLLCA12
SCHEMBL10619206 0.82 USP2 (0.58) GAAMGLLCA1CA2POLB
SCHEMBL9673742 0.81 ALDH1A1 (0.63) P2RX7ALDH1A1MGLLCA12CA1
SCHEMBL2234441 0.81 GAA (1.00) GAAALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL11651843 0.81 CA12 (0.60) P2RX7ALDH1A1MGLLCA12CA1

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
US-20080096885-A1 Quinoline Derivatives as Neurokinin Receptor Antagonists MERCK SHARP & DOHME LTD. (GB) 2008-04-24 US disclosed
EP-1536838-B1 Hyposensibilisation by hydroxyalkyl starch allergen conjugates FRESENIUS KABI DE GMBH (DE) 2007-01-31 EP disclosed
US-20060121062-A1 Conjugated hydroxyalkyl starch allergen compounds FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2006-06-08 US disclosed
EP-1536838-A1 CONJUGATED HYDROXYALKYL STARCH ALLERGEN COMPOUNDS Fresenius Kabi Deutschland GmbH (DE) 2005-06-08 EP disclosed
WO-2004030701-A1 CONJUGATED HYDROXYALKYL STARCH ALLERGEN COMPOUNDS FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2004-04-15 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-20080096885-A1 Quinoline Derivatives as Neurokinin Receptor Antagonists TACR3, TACR2, TAC3 GAA 1423/4885P2RX7 169/4885ALDH1A1 2142/4885

“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.