SCHEMBL4134359

SCHEMBL4134359

CC(C)(C)OC(=O)Oc1cccc(-c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ MET P08581 4/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ ABHD6 Q9BV23 1/20 0.44
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ CHEK1 O14757 1/20 0.42
▸ NEK2 P51955 1/20 0.42
▸ LIMK1 P53667 1/20 0.42
▸ TYRO3 Q06418 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ GABRA1 P14867 2/20 0.41
▸ GABRB2 P47870 2/20 0.41
▸ POLB P06746 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
SCHEMBL4122285 0.85 HDAC1 (0.49) MAPTSMN1; SMN2METHDAC1PDE4A
SCHEMBL4134356 0.80 MET (0.51) MAPTMETHDAC1IRAK1
SCHEMBL12194158 0.79 MAPT (0.69) MAPTSMN1; SMN2METMGLLABHD6
SCHEMBL3841951 0.79 MAPT (0.78) MAPTSMN1; SMN2METMGLLABHD6
SCHEMBL4129601 0.77 MAPT (0.69) MAPTSMN1; SMN2METHDAC1MGLL
SCHEMBL2465886 0.75 MET (0.55) MAPTSMN1; SMN2METHDAC1KMT2A
SCHEMBL2470591 0.74 MAPT (0.77) MAPTSMN1; SMN2METPDE4APDE4B
SCHEMBL2470365 0.74 MAPT (0.77) MAPTSMN1; SMN2HDAC1MGLLABHD6
SCHEMBL1949173 0.74 MAPT (0.70) MAPTSMN1; SMN2METCHEK1NEK2
SCHEMBL13247060 0.74 MET (0.70) MAPTSMN1; SMN2MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173653-B2 Pyridiazinone derivatives for the treatment of tumours MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-05-08 — — US disclosed
US-8173653-B2 Pyridiazinone derivatives for the treatment of tumours MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-05-08 — — US disclosed
US-20080293719-A1 Pyridiazinone Derivatives for the Treatment of Tumours MERCK PATENT GESELLSCHAFT (DE) 2008-11-27 — — US disclosed
US-20080293719-A1 Pyridiazinone Derivatives for the Treatment of Tumours MERCK PATENT GESELLSCHAFT (DE) 2008-11-27 — — US disclosed
WO-2007065518-A1 PYRIDIAZINONE DERIVATIVES FOR TUMOUR TREATMENT MERCK PATENT GMBH (DE) 2007-06-14 — — 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-20080293719-A1 Pyridiazinone Derivatives for the Treatment of Tumours MET, RET, ERBB2 MAPT 3648/4885SMN1; SMN2 3892/4885MET 1/4885

“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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