SCHEMBL492231

SCHEMBL492231

CCOC(=O)c1noc2cc(Br)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.48
TARBP2 Q15633 1/20 0.47
ELANE P08246 4/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.44
SCD5 Q86SK9 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRB2 P47870 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 1/20 0.42
ALOX5 P09917 2/20 0.41
PRNP P04156 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
Bicarbonate SCHEMBL6830564 0.95 TBK1 (0.45) TBK1TARBP2ELANEALDH1A1SMN1; SMN2
SCHEMBL30440611 0.89 ELANE (0.49) TBK1TARBP2ELANEALDH1A1SMN1; SMN2
SCHEMBL1965601 0.89 ELANE (0.49) TBK1TARBP2ELANEALDH1A1SMN1; SMN2
SCHEMBL492496 0.84 AKR1B1 (0.54) ALDH1A1SMN1; SMN2KDM4EMAPTHTT
SCHEMBL30615477 0.84 MAPT (0.48) ELANEALDH1A1TP53SCD5KDM4E
SCHEMBL19793132 0.84 MAPT (0.48) ELANEALDH1A1TP53SCD5KDM4E
SCHEMBL492601 0.83 LMNA (0.46) ELANEALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL14492918 0.83 KDM4E (0.42) TARBP2ALDH1A1KDM4EPOLBPKM
SCHEMBL6833807 0.83 ALDH1A1 (0.50) TARBP2ELANEALDH1A1SMN1; SMN2KDM4E
SCHEMBL8226588 0.83 HTT (0.50) ELANEALDH1A1SMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601231-B1 PESTICIDAL COMPOUNDS BASF SE (DE) 2023-05-10 EP disclosed
US-11160280-B2 Pesticial compounds BASF SE (DE) 2021-11-02 US disclosed
CN-108341822-B FXR receptor modulator and preparation method and application thereof 广州市恒诺康医药科技有限公司 2021-04-16 CN disclosed
CN-105712945-B 2-substituted oxy-5-methylsulfonyl aryl piperazine amide analogue and preparation method and application thereof 上海翰森生物医药科技有限公司 2020-12-01 CN disclosed
EP-3601231-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2020-02-05 EP disclosed
US-20200029566-A1 Pesticial Compounds BASF SE (DE) 2020-01-30 US disclosed
WO-2018177781-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2018-10-04 WO disclosed
US-9980945-B2 Benzoisoxazole-substituted compounds as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2018-05-29 US disclosed
US-9980945-B2 Benzoisoxazole-substituted compounds as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2018-05-29 US disclosed
US-20180021312-A1 BENZOISOXAZOLE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2018-01-25 US disclosed
WO-2005111038-A2 1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-11-24 WO disclosed
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION 2005-11-10 US disclosed
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-10-20 US disclosed
WO-2005092890-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed
US-20050176754-A1 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-08-11 US disclosed
WO-2005063767-A2 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-07-14 WO disclosed
EP-1531812-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2005-05-25 EP disclosed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed
WO-2004010995-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 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 (7 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-20180021312-A1 BENZOISOXAZOLE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION GRIK4, GRM4, GRM1 TBK1 715/4885TARBP2 3087/4885ELANE 4759/4885
US-11160280-B2 Pesticial compounds PNMT, DDT, NIT2 TBK1 1867/4885TARBP2 3631/4885ELANE 3327/4885
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 TBK1 1279/4885TARBP2 4473/4885ELANE 2836/4885
US-20200029566-A1 Pesticial Compounds PNMT, DDT, NIT2 TBK1 1867/4885TARBP2 3631/4885ELANE 3327/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 TBK1 84/4885TARBP2 4681/4885ELANE 507/4885
US-20050176754-A1 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA1 TBK1 1998/4885TARBP2 4685/4885ELANE 4079/4885
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA3 TBK1 829/4885TARBP2 3771/4885ELANE 2205/4885

“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.