SCHEMBL23501005

SCHEMBL23501005

NNC(=O)c1cnc(NC2Cc3ccc(Br)cc3C2)nc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC3 O15379 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC8 Q9BY41 5/20 0.44
PRMT5 O14744 1/20 0.43
OGG1 O15527 1/20 0.41
ENPP2 Q13822 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GBA1 P04062 1/20 0.39
PNMT P11086 3/20 0.36

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
SCHEMBL27195353 0.87 HDAC8 (0.44) HDAC6HDAC8PRMT5OGG1KDM4E
SCHEMBL30724696 0.87 HDAC8 (0.44) HDAC6HDAC8PRMT5OGG1KDM4E
SCHEMBL22092818 0.86 HDAC6 (0.44) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL29878704 0.84 ENPP2 (0.51) HDAC1HDAC6HDAC3HDAC2ENPP2
SCHEMBL22057278 0.84 ENPP2 (0.51) HDAC1HDAC6HDAC3HDAC2ENPP2
SCHEMBL23501092 0.83 HDAC8 (0.41) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL29878495 0.83 HDAC8 (0.41) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL22092797 0.81 HDAC8 (0.43) HDAC6HDAC8PRMT5ENPP2
SCHEMBL28653403 0.81 HDAC8 (0.43) HDAC6HDAC8PRMT5ENPP2
SCHEMBL23500773 0.80 HDAC8 (0.41) HDAC1HDAC6HDAC3HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4692083-A1 NOVEL AZABICYCLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING AUTOTAXIN, COMPRISING SAME Nextgen Bioscience Co., Ltd. (KR) 2026-02-11 EP disclosed
WO-2024205327-A1 NOVEL AZABICYCLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING AUTOTAXIN, COMPRISING SAME 주식회사 넥스트젠바이오사이언스 2024-10-03 WO disclosed
US-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-03-02 US disclosed
EP-4074711-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2022-10-19 EP disclosed
CN-114901658-A Nitrogen-containing heterocyclic ring autotaxin inhibitor, and composition and application thereof 四川海思科制药有限公司 2022-08-12 CN disclosed
WO-2021115375-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF 四川海思科制药有限公司 2021-06-17 WO disclosed
WO-2021115375-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF 四川海思科制药有限公司 2021-06-17 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-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF ENPP2, NMT2, NMT1 HDAC1 1593/4885HDAC6 849/4885HDAC3 2950/4885

“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.