SCHEMBL6546108

SCHEMBL6546108

CC(C)(C)OC(=O)c1ccc(N)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
GRM6 O15303 1/20 0.40
EP300 Q09472 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
HDAC3 O15379 1/20 0.40
KAT2B Q92831 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CFTR P13569 1/20 0.40
CDC25B P30305 3/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL22545595 0.90 CDC25B (0.45) IDO1GRM6ALDH1A1HSD17B10CFTR
SCHEMBL1415184 0.89 GABRP (0.44) GRM6ALDH1A1HSD17B10CDC25BGABRP
SCHEMBL27492828 0.85 GABRA1 (0.43) GRM6ALDH1A1HSD17B10GABRPGABRD
SCHEMBL1415186 0.83 NR4A1 (0.44) GRM6ALDH1A1HSD17B10CDC25BGABRP
SCHEMBL14627192 0.82 AR (0.41) ALDH1A1HSD17B10CDC25BGABRPGABRD
SCHEMBL5373294 0.81 IDO1 (0.45) IDO1HSD17B10CDC25BGABRPGABRD
SCHEMBL31758437 0.81 ALDH1A1 (0.61) IDO1EP300KAT8ALDH1A1HSD17B10
SCHEMBL4685498 0.81 ALDH1A1 (0.61) IDO1EP300KAT8ALDH1A1HSD17B10
SCHEMBL1025155 0.80 IDO1 (0.47) IDO1EP300KAT8HDAC3KAT2B
SCHEMBL22545599 0.80 AAK1 (0.44) ALDH1A1GABRPGABRDGABRA1GABRB1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114173772-A Inhibitors of CD40-CD154 binding 托尼克斯医药控股公司 2022-03-11 CN disclosed
EP-3952853-A1 INHIBITORS OF CD40-CD154 BINDING Tonix Pharmaceuticals Holding Corp. (US) 2022-02-16 EP disclosed
WO-2020210831-A1 INHIBITORS OF CD40-CD154 BINDING TONIX Pharmaceuticals Holding Corp (US) 2020-10-15 WO disclosed
CN-101772506-B Macrocycles and their uses NOVARTIS AG 2014-02-12 CN disclosed
CN-101772506-A Macrocylc compound and uses thereof NOVARTIS AG 2010-07-07 CN disclosed
CN-1829709-A Bicyclic imidazol derivatives against flaviviridae GENELABS TECH INC (US) 2006-09-06 CN disclosed
US-6765009-B2 N-(5-TERT-BUTYL-3-(3-(4-((2-DIMETHYLAMINOMETHYL-PYRIDIN-4-YL) -PIPERAZIN-1-YL-METHYL) NAPHTHALEN-1-YL)UREIDO)-2-METHOXYPHENYL) METHANESULFONAMIDE FOR EXAMPLE; CYTOKINE INHIBITORS FOR TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-07-20 US disclosed
EP-1381592-A1 1,4-DISUBSTITUTED BENZO-FUSED COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-01-21 EP disclosed
US-20030083333-A1 1,4-Disubstituted benzo-fused compounds BOEHRINGER INTELHEIM PHARMACEUTICALS, INC. 2003-05-01 US disclosed
WO-2002083628-A1 1,4-DISUBSTITUTED BENZO-FUSED COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-10-24 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 (1 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-20030083333-A1 1,4-Disubstituted benzo-fused compounds RELA, NFKBIA, NQO1 IDO1 1535/4885GRM6 799/4885EP300 137/4885

“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.