SCHEMBL1781279

SCHEMBL1781279

O=c1[nH]nc(Br)c(=O)n1COCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK14 Q16539 2/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
PDE5A O76074 2/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE3B Q13370 1/20 0.35

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
SCHEMBL22632453 0.83 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AL3MBTL1KMT2A
SCHEMBL31524170 0.81 ALDH1A1 (0.48) ALDH1A1NPC1RAB9AL3MBTL1KMT2A
SCHEMBL3285126 0.81 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1USP2CYP2C9
SCHEMBL31524203 0.79 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AL3MBTL1KMT2A
SCHEMBL12650380 0.75 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AL3MBTL1KMT2A
SCHEMBL4576525 0.75 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AL3MBTL1KMT2A
SCHEMBL21178006 0.73 ALDH1A1 (0.48) ALDH1A1NPC1RAB9AL3MBTL1KMT2A
SCHEMBL28646842 0.72 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AL3MBTL1KMT2A
SCHEMBL28924875 0.71 ALDH1A1 (0.43) ALDH1A1NPC1RAB9AL3MBTL1MAPK1
SCHEMBL15564427 0.71 ALDH1A1 (0.43) ALDH1A1NPC1RAB9AL3MBTL1KMT2A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036699-A THR-beta modulators and methods of use thereof 阿利戈斯治疗公司 2026-05-15 CN disclosed
US-20250304561-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2025-10-02 US disclosed
EP-4523692-A2 MODULATORS OF THR-SS AND METHODS OF USE THEREOF Aligos Therapeutics, Inc. (US) 2025-03-19 EP disclosed
CN-113454069-B 1,2, 4-Triazine-3, 5-dione compound, and preparation method and application thereof 昆药集团股份有限公司 2025-03-14 CN disclosed
EP-3965884-B1 MODULATORS OF THR-BETA WITH A DIOXO-1,2,4-TRIAZYL HEAD GROUP ALIGOS THERAPEUTICS INC (US) 2025-01-15 EP disclosed
US-12180192-B2 Modulators of THR-β and methods of use thereof ALIGOS THERAPEUTICS, INC. (US) 2024-12-31 US disclosed
US-20230089582-A1 1,2,4-TRIAZINE-3,5-DIONE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF KPC PHARMACEUTICALS INC (CN) 2023-03-23 US disclosed
EP-4083024-A1 1,2,4-TRIAZINE-3,5-DIONE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF KPC Pharmaceuticals, Inc. (CN) 2022-11-02 EP disclosed
CN-113278013-B 2, 6-disubstituted 1,2, 4-triazine-3, 5-diketone compound and preparation method and application thereof 昆药集团股份有限公司 2022-09-23 CN disclosed
EP-3965884-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF Aligos Therapeutics, Inc. (US) 2022-03-16 EP disclosed
US-20200354345-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2020-11-12 US disclosed
US-20200354345-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2020-11-12 US disclosed
WO-2020227549-A1 MODULATORS OF THR-β AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2020-11-12 WO disclosed
EP-2328886-B1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PF MEDICAMENT (FR) 2016-12-28 EP disclosed
US-9505753-B2 Inhibitors of D-amino acid oxidase THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-29 US disclosed
US-20150218156-A1 INHIBITORS OF D-AMINO ACID OXIDASE THE JOHNS HOPKINS UNIVERSITY (US) 2015-08-06 US disclosed
WO-2014025993-A1 INHIBITORS OF D-AMINO ACID OXIDASE THE JOHNS HOPKINS UNIVERSITY (US) 2014-02-13 WO disclosed
US-8618287-B2 Derivatives of triazines and uracils, their preparation and their application in human therapeutics PIERRE FABRE MEDICAMENT (FR) 2013-12-31 US disclosed
US-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2011-05-19 US disclosed
US-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2011-05-19 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 (6 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-20150218156-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, GRIN2A ALDH1A1 1465/4885NPC1 4652/4885RAB9A 1721/4885
US-20250304561-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF THRB, THRA, TRHR ALDH1A1 3330/4885NPC1 3125/4885RAB9A 2635/4885
US-20200354345-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF THRB, THRA, TRHR ALDH1A1 3081/4885NPC1 2683/4885RAB9A 2397/4885
US-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS UNG, TYMS, UMPS ALDH1A1 390/4885NPC1 1630/4885RAB9A 3994/4885
US-20230089582-A1 1,2,4-TRIAZINE-3,5-DIONE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF THRB, THRA, TSHR ALDH1A1 767/4885NPC1 658/4885RAB9A 4604/4885
US-12180192-B2 Modulators of THR-β and methods of use thereof THRB, THRA, TRHR ALDH1A1 3049/4885NPC1 2374/4885RAB9A 2240/4885

“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.