SCHEMBL2412911

SCHEMBL2412911

OCc1cnn(-c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
DRD4 P21917 8/20 0.55
DRD2 P14416 7/20 0.55
DRD3 P35462 7/20 0.55
HPGDS O60760 1/20 0.53
ALKBH2 Q6NS38 1/20 0.53
MAPT P10636 4/20 0.52
LMNA P02545 3/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
RAB9A P51151 3/20 0.52
POLB P06746 1/20 0.52
NR4A1 P22736 1/20 0.52
MPI P34949 1/20 0.52
RECQL P46063 1/20 0.52
ESR2 Q92731 1/20 0.52
NOTUM Q6P988 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP2C9 P11712 1/20 0.48

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
SCHEMBL16867187 0.85 GAA (0.55) GAADRD4DRD2DRD3HPGDS
SCHEMBL28980400 0.81 MEN1 (0.41) GAADRD4DRD2DRD3HPGDS
SCHEMBL15180418 0.81 DRD4 (0.52) GAADRD4DRD2DRD3MAPT
SCHEMBL6533912 0.81 DRD4 (0.55) DRD4DRD2DRD3MAPTLMNA
SCHEMBL6533713 0.81 NOTUM (0.51) GAADRD4DRD2DRD3MAPT
SCHEMBL6852145 0.81 DRD4 (0.55) GAADRD4DRD2DRD3HPGDS
SCHEMBL9608917 0.81 DRD4 (0.55) GAADRD4DRD2DRD3HPGDS
SCHEMBL27163243 0.81 DRD4 (0.55) GAADRD4DRD2DRD3HPGDS
SCHEMBL2408942 0.81 DRD4 (0.55) GAADRD4DRD2DRD3HPGDS
SCHEMBL8276924 0.81 DRD4 (0.55) GAADRD4DRD2DRD3HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-25 US disclosed
EP-4329889-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
WO-2022227015-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2022-11-03 WO disclosed
WO-2022232333-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2022-11-03 WO disclosed
CN-109689644-B Pyridazinone compound and application thereof 沈阳中化农药化工研发有限公司 2021-07-30 CN disclosed
CN-107964007-B Pyridazinone compound and application thereof 沈阳中化农药化工研发有限公司 2021-02-12 CN disclosed
CN-109689644-A Pyridazinone compound and its application 沈阳中化农药化工研发有限公司 2019-04-26 CN disclosed
CN-107964007-A Pyridazinone compound and its application 沈阳中化农药化工研发有限公司 2018-04-27 CN disclosed
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 US disclosed
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 US disclosed
CN-101068797-A Carboxylic acid derivative containing thiazole ring and pharmaceutical use thereof MITSUBISHI PHARMA CORP (JP) 2007-11-07 CN disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 EP disclosed
CN-1890241-A A2BAdenosine receptor antagonists CV THERAPEUTICS INC (US) 2007-01-03 CN disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed
US-4556409-A CONTROLLING SOYBEAN GROWTH EMERY INDUSTRIES INC. (US) 1985-12-03 US disclosed
US-4522749-A Process for augmenting or enhancing the aroma of a fragrance by adding a vinylcyclopropane compound NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1985-06-11 US disclosed
US-4418202-A HERBICIDES, PESTICIDES EMERY INDUSTRIES, INC. (US) 1983-11-29 US disclosed
US-4380656-A PESTICIDES, HERBICIDES EMERY INDUSTRIES, INC. (US) 1983-04-19 US disclosed
US-4151293-A MITICIDES ABBOTT LABORATORIES (US) 1979-04-24 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 (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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 GAA 3483/4885DRD4 691/4885DRD2 346/4885
US-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 GAA 3303/4885DRD4 1225/4885DRD2 3730/4885

“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.