SCHEMBL3660640

SCHEMBL3660640

Cc1cccnc1Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
ELANE P08246 2/20 0.49
ALDH1A1 P00352 3/20 0.49
HTR1A P08908 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
MAPK8 P45983 2/20 0.46
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LTA4H P09960 1/20 0.42

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
SCHEMBL22009625 0.93 TDP1 (0.49) TDP1ELANEALDH1A1HTR1ASLC6A2
SCHEMBL8467578 0.86 KMT2A (0.63) TDP1ALDH1A1KMT2AMEN1HTT
SCHEMBL22061929 0.86 KMT2A (0.45) TDP1ELANEALDH1A1HTR1ASLC6A2
SCHEMBL29716346 0.86 KMT2A (0.45) TDP1ELANEALDH1A1HTR1ASLC6A2
SCHEMBL9910945 0.83 RAB9A (0.56) ALDH1A1KMT2AMEN1HTTHPGD
SCHEMBL13680418 0.83 KMT2A (0.47) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL2460533 0.83 KMT2A (0.56) TDP1ALDH1A1KMT2AMEN1HTT
SCHEMBL8323440 0.81 LTA4H (0.53) TDP1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL29876758 0.81 LTA4H (0.53) TDP1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL5256557 0.80 KMT2A (0.39) TDP1ELANEALDH1A1HTR1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166601-A1 NLRX1 LIGANDS LANDOS BIOPHARMA, INC. (US) 2024-05-23 US disclosed
US-20230337672-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS HAVING RESISTANCE TO QoI FUNGICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-26 US disclosed
US-20230337672-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS HAVING RESISTANCE TO QoI FUNGICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-26 US disclosed
US-20230232827-A1 METHOD FOR CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QoI FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-07-27 US disclosed
US-20230232827-A1 METHOD FOR CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QoI FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-07-27 US disclosed
EP-4212513-A1 1,3,5-TRIS(6-METHYLPYRIDIN-2-YLOXY)BENZENE DERIVATIVES AND RELATED COMPOUNDS AS NLRX1 LIGANDS FOR TREATING INFLAMMATORY DISEASES LANDOS BIOPHARMA, INC. (US) 2023-07-19 EP disclosed
US-11680045-B2 NLRX1 ligands LANDOS BIOPHARMA, INC. (US) 2023-06-20 US disclosed
WO-2023107557-A1 COMPOUNDS AND COMPOSITIONS THAT INHIBIT PIKFYVE Kineta, Inc. (US) 2023-06-15 WO disclosed
EP-3793979-B1 1,3,5-TRIS(6-METHYLPYRIDIN-2-YLOXY)BENZENE DERIVATIVES AND RELATED COMPOUNDS AS NLRX1 LIGANDS FOR TREATING INFLAMMATORY DISEASES LANDOS BIOPHARMA INC (US) 2022-12-14 EP disclosed
CN-112384501-B 1,3, 5-tris (6-methylpyridin-2-yloxy) benzene derivatives and related compounds as NLRX1ligands for the treatment of inflammatory diseases 朗多生物制药股份有限公司 2022-06-17 CN disclosed
US-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US disclosed
US-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7164024-B2 Muscarinic acetylcholine receptor antagonist; Parkinson's disease; dystonia; analgesics; irritable bowel syndrome BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-16 US disclosed
US-4776880-A HERBICIDES THE DOW CHEMICAL COMPANY (US) 1988-10-11 US disclosed
US-4731107-A Certain 6-diphenoxymethyl-2-pyridinyl-oxy-propanoates having herbicidal properties THE DOW CHEMICAL COMPANY (US) 1988-03-15 US disclosed
US-4692183-A BROADLEAF GRASSES THE DOW CHEMICAL COMPANY (US) 1987-09-08 US disclosed
US-4685953-A PREEMERGENCE AND POST EMERGENCE HERBICIDES THE DOW CHEMICAL COMPANY (US) 1987-08-11 US disclosed
US-4661144-A Certain 6-aminomethyl or monoalkylamino or dialkylamino or heterocyclicamino-2-diphenoxymethyl pyridines having herbicidal activity THE DOW CHEMICAL COMPANY (US) 1987-04-28 US disclosed
US-4606757-A Diphenoxymethylpyridines having herbicidal properties THE DOW CHEMICAL COMPANY (US) 1986-08-19 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 (5 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-11680045-B2 NLRX1 ligands NLRP1, NLRP3, NOD1 TDP1 2746/4885ELANE 1381/4885ALDH1A1 4423/4885
US-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 TDP1 1443/4885ELANE 3681/4885ALDH1A1 1575/4885
US-20240166601-A1 NLRX1 LIGANDS NLRP1, NLRP3, NOD1 TDP1 2746/4885ELANE 1381/4885ALDH1A1 4423/4885
US-20230337672-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS HAVING RESISTANCE TO QoI FUNGICIDE CYC1, SQOR, MT-CO1 TDP1 4125/4885ELANE 4665/4885ALDH1A1 4422/4885
US-20230232827-A1 METHOD FOR CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QoI FUNGICIDES CYC1, SQOR, MT-CO3 TDP1 4148/4885ELANE 4681/4885ALDH1A1 4554/4885

“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.