SCHEMBL17601927

SCHEMBL17601927

CCOC(=O)CC(=O)N/N=C(/C(=O)OCC)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.62
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
GLO1 Q04760 1/20 0.48
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 6/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
G6PD P11413 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
IRAK1 P51617 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45

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
SCHEMBL16179123 1.00 GAA (0.62) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL30047147 1.00 GAA (0.62) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL3849710 0.81 SMN1; SMN2 (0.72) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL3849713 0.81 SMN1; SMN2 (0.72) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL3847811 0.81 SMN1; SMN2 (0.52) GAAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3847809 0.81 SMN1; SMN2 (0.52) GAAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL1110091 0.79 KMT2A (0.62) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL30770327 0.76 CES2 (0.66) GAAKMT2AMEN1HTTGLO1
SCHEMBL9062780 0.76 CES2 (0.66) GAAKMT2AMEN1HTTGLO1
Malonic Acid Diethyl Ester SCHEMBL27871201 0.76 MEN1 (0.58) GAAKMT2AMEN1HTTSMN1; SMN2

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-4323066-A1 MEK INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2024-02-21 EP disclosed
WO-2022221866-A1 MEK INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-10-20 WO disclosed
EP-2986611-B1 CERTAIN PROTEIN KINASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2019-02-06 EP disclosed
US-10022374-B2 Certain protein kinase inhibitors SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2018-07-17 US disclosed
US-20170105994-A1 CERTAIN PROTEIN KINASE INHIBITORS Shanghai Fosun Pharmaceutical Industrial Development Co., Ltd. (CN) 2017-04-20 US disclosed
US-9556171-B2 Certain protein kinase inhibitors SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2017-01-31 US disclosed
US-20160083376-A1 CERTAIN PROTEIN KINASE INHIBITORS Shanghai Fosun Pharmaceutical Industrial Development Co., Ltd. (CN) 2016-03-24 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 (3 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-20170105994-A1 CERTAIN PROTEIN KINASE INHIBITORS PRKACA, PRKACB, PRKDC GAA 2516/4885KMT2A 2635/4885MEN1 4052/4885
US-20160083376-A1 CERTAIN PROTEIN KINASE INHIBITORS PRKACA, PRKACB, PRKDC GAA 2516/4885KMT2A 2635/4885MEN1 4052/4885
US-10022374-B2 Certain protein kinase inhibitors PRKACA, PRKACB, PRKDC GAA 2516/4885KMT2A 2635/4885MEN1 4052/4885

“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.