SCHEMBL22777816

SCHEMBL22777816

O=C(O)c1nc2cc(-c3ccc(-c4ccccc4)cc3)ccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.58
▸ MAOB P27338 1/20 0.49
▸ LIPG Q9Y5X9 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ NFKB1 P19838 3/20 0.48
▸ NFKB2 Q00653 3/20 0.48
▸ RELA Q04206 3/20 0.48
▸ PKM P14618 1/20 0.48
▸ HPGD P15428 2/20 0.46
▸ PIK3CG P48736 1/20 0.46
▸ STAT1 P42224 1/20 0.46
▸ DHODH Q02127 1/20 0.45
▸ HNF4A P41235 2/20 0.45
▸ ACMSD Q8TDX5 2/20 0.45
▸ DHFR P00374 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL29448076 1.00 HDAC1 (0.58) HDAC1MAOBLIPGKDM4ENPC1
SCHEMBL29448094 0.84 HDAC1 (0.49) HDAC1MAOBLIPGKDM4ENPC1
SCHEMBL22777810 0.84 HDAC1 (0.49) HDAC1MAOBLIPGKDM4ENPC1
SCHEMBL11451764 0.81 PIK3CA (0.47) HDAC1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL28727291 0.79 SMN1; SMN2 (0.65) HDAC1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL836745 0.79 SMN1; SMN2 (0.65) HDAC1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL22777805 0.78 HDAC1 (0.43) HDAC1MAOBKDM4ENPC1RAB9A
SCHEMBL29448048 0.78 HDAC1 (0.43) HDAC1MAOBKDM4ENPC1RAB9A
SCHEMBL6196778 0.78 NPC1 (0.56) NPC1RAB9ASMN1; SMN2PKMHPGD
Hydrochloric Acid SCHEMBL3610419 0.78 SMN1; SMN2 (0.63) HDAC1MAOBNPC1RAB9ASMN1; SMN2

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-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
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 HDAC1 4385/4885MAOB 3480/4885LIPG 2534/4885

“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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