SCHEMBL382819

SCHEMBL382819

Brc1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
DGAT1 O75907 2/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
USP2 O75604 1/20 0.37
MAPK13 O15264 1/20 0.37
GCGR P47871 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
MAPK1 P28482 2/20 0.36
METAP2 P50579 1/20 0.35
MAPT P10636 4/20 0.35
TP53 P04637 2/20 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
SCHEMBL2028396 0.89 ADH5 (0.32)
SCHEMBL13411813 0.86 ADH5 (0.36)
SCHEMBL17254440 0.80 ESR1 (0.33)
SCHEMBL184092 0.78 DCUN1D1 (0.44) NR1H2NR1H3ALDH1A1SMN1; SMN2MEN1
SCHEMBL264036 0.78 NPC1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL595369 0.78 PKM (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL595550 0.78 IDO1 (0.35)
SCHEMBL1875818 0.78
SCHEMBL1774400 0.78 ALPL (0.46) NR1H2NR1H3ALDH1A1SMN1; SMN2NPC1
SCHEMBL705663 0.78 NPC1 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113004292-A Main luminescent material based on triazolotriazine and application thereof 安徽秀朗新材料科技有限公司 2021-06-22 CN claimed
US-12577217-B2 15-PGDH inhibitor KYORIN PHARMACEUTICAL CO., LTD. (JP) 2026-03-17 US disclosed
CN-119371412-A CYP11B2 inhibitor compound, pharmaceutical composition and application thereof 长春金赛药业有限责任公司 2025-01-28 CN disclosed
US-20240308988-A1 Method For Controlling Diamide Resistant Pests and Compounds Therefor SYNGENTA CROP PROTECTION AG (CH) 2024-09-19 US disclosed
EP-4380363-A1 METHOD FOR CONTROLLING DIAMIDE RESISTANT PESTS & COMPOUNDS THEREFOR Syngenta Crop Protection AG (CH) 2024-06-12 EP disclosed
CN-118076228-A Methods for controlling diamide-resistant pests and compounds thereof 先正达农作物保护股份公司 2024-05-24 CN disclosed
CN-113226310-B 15-PGDH inhibitors 杏林制药株式会社 2024-03-19 CN disclosed
CN-113004292-B Main body luminescent material based on triazolotriazine and application thereof 安徽秀朗新材料科技有限公司 2023-10-17 CN disclosed
CN-113861206-B Blue electroluminescent material and synthesis method and application thereof 湘潭大学 2023-09-29 CN disclosed
CN-116082316-A Preparation method of visible light-promoted azolyl hemiaminal compound 南通大学 2023-05-09 CN disclosed
US-6265434-B1 ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2001-07-24 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
WO-2000059503-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
CN-1166831-A Novel benzyl pyrimidines HOFFMANN LA ROCHE (CH) 1997-12-03 CN disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 WO disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP 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 (2 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-20240308988-A1 Method For Controlling Diamide Resistant Pests and Compounds Therefor DDT, NOS1, SLC11A2 ATM 3759/4885DGAT1 329/4885NR1H2 2748/4885
US-12577217-B2 15-PGDH inhibitor PTGDR, ADH1A, ADRA1A ATM 3863/4885DGAT1 204/4885NR1H2 559/4885

“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.