SCHEMBL22777740

SCHEMBL22777740

O=C(O)c1nc2nc(-c3ccc(-c4ccccc4)cc3)ncc2s1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.45
▸ KMT2A Q03164 8/20 0.45
▸ HPGD P15428 3/20 0.45
▸ HPGDS O60760 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAOB P27338 1/20 0.38

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
SCHEMBL22777805 0.77 HDAC1 (0.43) MEN1KMT2ANPC1NFKB1RAB9A
SCHEMBL29448048 0.77 HDAC1 (0.43) MEN1KMT2ANPC1NFKB1RAB9A
SCHEMBL22777777 0.73 PLK4 (0.47) MEN1KMT2AHPGDHPGDSGAA
SCHEMBL29448094 0.73 HDAC1 (0.49) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL22777810 0.73 HDAC1 (0.49) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL29448076 0.70 HDAC1 (0.58) HPGDNPC1NFKB1RAB9ANFKB2
SCHEMBL22777816 0.70 HDAC1 (0.58) HPGDNPC1NFKB1RAB9ANFKB2
SCHEMBL22777765 0.69 MEN1 (0.45) MEN1KMT2AHPGDHPGDSGAA
SCHEMBL22777798 0.69 MEN1 (0.45) MEN1KMT2AHPGDHPGDSGAA
SCHEMBL29448112 0.69 MEN1 (0.45) MEN1KMT2AHPGDHPGDSGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220304984-A1 AMINO ACID TRANSPORT INHIBITORS AND THE USES THEREOF VANDERBILT UNIVERSITY 2022-09-29 — — US claimed
EP-3983084-A1 AMINO ACID TRANSPORT INHIBITORS AND THE USES THEREOF Vanderbilt University (US) 2022-04-20 — — EP claimed
CN-114222729-A Amino acid transport inhibitors and uses thereof 范德比尔特大学 2022-03-22 — — CN claimed
WO-2020252353-A1 AMINO ACID TRANSPORT INHIBITORS AND THE USES THEREOF VANDERBILT UNIVERSITY (US) 2020-12-17 — — WO claimed
US-20220304984-A1 AMINO ACID TRANSPORT INHIBITORS AND THE USES THEREOF VANDERBILT UNIVERSITY 2022-09-29 — — US disclosed
WO-2020252353-A1 AMINO ACID TRANSPORT INHIBITORS AND THE USES THEREOF VANDERBILT UNIVERSITY (US) 2020-12-17 — — 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-20220304984-A1 AMINO ACID TRANSPORT INHIBITORS AND THE USES THEREOF SLC1A5, SLC7A11, SLC3A2 MEN1 1436/4885KMT2A 933/4885HPGD 1498/4885

“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.

Send feedback