SCHEMBL29448067

SCHEMBL29448067

O=C(O)c1nc2cc(-c3ccc(-c4ccccc4)cc3)ccc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ NR4A2 P43354 1/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ AAK1 Q2M2I8 1/20 0.47
▸ HPSE Q9Y251 2/20 0.46
▸ TBK1 Q9UHD2 1/20 0.46
▸ HDAC6 Q9UBN7 4/20 0.46
▸ AGPAT2 O15120 1/20 0.46
▸ DAGLA Q9Y4D2 1/20 0.45
▸ PGR P06401 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ AKR1B1 P15121 1/20 0.45
▸ LIPG Q9Y5X9 1/20 0.44
▸ DHODH Q02127 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
SCHEMBL22777818 1.00 GAA (0.59) GAAL3MBTL1NR4A2PTPN1AAK1
SCHEMBL29448086 0.81 HDAC6 (0.45) GAAL3MBTL1NR4A2PTPN1HDAC6
SCHEMBL22777796 0.81 HDAC6 (0.45) GAAL3MBTL1NR4A2PTPN1HDAC6
SCHEMBL1590095 0.79 FAAH (0.55) GAANR4A2DAGLAKDM4ENPC1
SCHEMBL1675372 0.79 HDAC6 (0.65) GAAL3MBTL1HPSEHDAC6KDM4E
SCHEMBL38651946 0.78 ESR2 (0.53) GAADAGLAKDM4EALDH1A1SMN1; SMN2
SCHEMBL9757168 0.78 ESR2 (0.53) GAADAGLAKDM4EALDH1A1SMN1; SMN2
SCHEMBL10730839 0.78 KDM4E (0.56) GAAL3MBTL1HPSEHDAC6AGPAT2
Hydrochloric Acid SCHEMBL23320558 0.78 FAAH (0.54) GAANR4A2DAGLAKDM4ENPC1
SCHEMBL3612583 0.78 FAAH (0.54) GAANR4A2DAGLAKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114222729-A Amino acid transport inhibitors and uses thereof 范德比尔特大学 2022-03-22 — — CN claimed
US-20220304984-A1 AMINO ACID TRANSPORT INHIBITORS AND THE USES THEREOF VANDERBILT UNIVERSITY 2022-09-29 — — US 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-20220304984-A1 AMINO ACID TRANSPORT INHIBITORS AND THE USES THEREOF SLC1A5, SLC7A11, SLC3A2 GAA 1294/4885L3MBTL1 1013/4885NR4A2 3574/4885

“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.

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