SCHEMBL22443304

SCHEMBL22443304

CCOC(=O)c1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ ALDH1A1 P00352 5/20 0.56
▸ TSHR P16473 2/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ FLT3 P36888 2/20 0.56
▸ SGK1 O00141 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ AURKA O14965 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ CCNT1 O60563 1/20 0.56
▸ GMNN O75496 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ STK17B O94768 1/20 0.56
▸ CCNB2 O95067 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ LCK P06239 1/20 0.56

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
SCHEMBL29352308 1.00 PKM (0.58) PKMGAAALDH1A1TSHRCYP1A2
SCHEMBL24487442 0.84 KDM4E (0.55) PKMGAAALDH1A1TSHRCYP1A2
SCHEMBL2956667 0.80 ALDH1A1 (0.73) PKMGAAALDH1A1TSHRCYP1A2
SCHEMBL24487443 0.78 HTR6 (0.61) PKMGAAALDH1A1TSHRCYP1A2
SCHEMBL2205697 0.78 KDM4E (0.57) PKMGAAALDH1A1TSHRCYP1A2
SCHEMBL2880010 0.77 KDM4E (0.66) PKMGAAALDH1A1TSHRMAPT
SCHEMBL2810876 0.77 ALDH1A1 (0.58) PKMGAAALDH1A1TSHRCYP1A2
SCHEMBL19385396 0.76 GAA (0.62) PKMGAAALDH1A1TSHRMAPT
SCHEMBL24487440 0.76 KDM4E (0.55) PKMGAAALDH1A1TSHRCYP1A2
SCHEMBL7679486 0.76 ALDH1A1 (0.60) GAAALDH1A1TSHRCYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3941920-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-03-20 — — EP disclosed
US-20220177478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK KGAA (DE) 2022-06-09 — — US disclosed
US-20220177478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK KGAA (DE) 2022-06-09 — — US disclosed
EP-3941920-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2022-01-26 — — EP disclosed
CN-113508117-A Material for organic electroluminescent device 默克专利有限公司 2021-10-15 — — CN disclosed
WO-2020187865-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-24 — — WO disclosed
WO-2020187865-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-24 — — 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-20220177478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM PKM 843/4885GAA 2421/4885ALDH1A1 473/4885

“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.

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