SCHEMBL3066976

SCHEMBL3066976

CN(Oc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
TSPO P30536 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
GFER P55789 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL2858347 0.84 TSPO (0.49) SMN1; SMN2NPC1RAB9ATSPOTDP1
Hydrochloric Acid SCHEMBL10955763 0.83 TSPO (0.47) SMN1; SMN2NPC1RAB9ATSPOTDP1
SCHEMBL27537971 0.83 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ATSPOTDP1
SCHEMBL9392621 0.81 HSD11B1 (0.46) SMN1; SMN2NPC1RAB9AATMALDH1A1
SCHEMBL27711766 0.79 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ATDP1ALOX15
SCHEMBL11883736 0.76 ATM (0.43) SMN1; SMN2NPC1RAB9ATSPOTDP1
SCHEMBL11264084 0.76 ATM (0.43) SMN1; SMN2NPC1RAB9ATDP1ATM
SCHEMBL10043046 0.73 HSP90AA1 (0.44) SMN1; SMN2NPC1RAB9ATSPOALDH1A1
Acetic Acid SCHEMBL27766113 0.73 ALDH1A1 (0.49) SMN1; SMN2NPC1RAB9ATSPOL3MBTL1
SCHEMBL2065189 0.72 LMNA (0.43) SMN1; SMN2NPC1RAB9AL3MBTL1ALOX15

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 SMN1; SMN2 2367/4885NPC1 639/4885RAB9A 1064/4885

“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.